2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate

C233H259Cl8N31O39S3 — CID 160641386

IUPAC2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate
SMILESC/N=c1\sc2ccccc2n1C.CC.CC(=O)Oc1ccccc1.CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)c(OS(=O)NCC(C)c2nc3c(-n4cccn4)c(OCCOc4ccccc4)cn3[nH]2)c1.CCCCCCCCCCCCOC(=O)C(C)OOCc1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OCCCCCCCCCCCC)ccc2Cl)n2nnc3ccccc32)c1.CCOC1C(=O)N(C(C(=O)Nc2cc(C)c(Cl)cc2Cl)C(=O)C2(CC)CC2)C(=O)N1Cc1ccccc1.CCOC1C(=O)N(C(C(=O)Nc2cc(C)ccc2Cl)C(=O)c2ccc(OC)cc2)C(=O)N1Cc1ccccc1.Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)c(NC(=O)C(C(=O)N3CCc4ccccc43)n3nnc4ccccc43)c2)c1.Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3nnc4ccccc43)c2)c(C)c1
InChIInChI=1S/C53H73Cl2N5O10.C44H47N7O8S.C31H34ClN5O4.C30H24Cl2N6O4S.C29H28ClN3O6.C27H29Cl2N3O5.C9H10N2S.C8H8O2.C2H6/c1-5-7-9-11-13-15-17-19-21-25-33-66-51(63)38(3)69-53(65)41-30-32-43(55)46(36-41)57-50(62)48(60-47-28-24-23-27-44(47)58-59-60)49(61)56-45-35-40(29-31-42(45)54)37-68-70-39(4)52(64)67-34-26-22-20-18-16-14-12-10-8-6-2;1-6-36(58-37-19-13-29(2)25-30(37)3)44(52)47-32-14-20-38(57-35-17-15-33(54-5)16-18-35)39(26-32)59-60(53)46-27-31(4)42-48-43-41(50-22-10-21-45-50)40(28-51(43)49-42)56-24-23-55-34-11-8-7-9-12-34;1-19-12-15-26(20(2)17-19)41-16-8-11-27(38)33-21-13-14-22(32)24(18-21)34-30(40)28(29(39)31(3,4)5)37-25-10-7-6-9-23(25)35-36-37;1-18-10-12-22(32)25(16-18)35-43(41,42)20-11-13-21(31)24(17-20)33-29(39)28(38-27-9-5-3-7-23(27)34-36-38)30(40)37-15-14-19-6-2-4-8-26(19)37;1-4-39-28-27(36)33(29(37)32(28)17-19-8-6-5-7-9-19)24(25(34)20-11-13-21(38-3)14-12-20)26(35)31-23-16-18(2)10-15-22(23)30;1-4-27(11-12-27)22(33)21(23(34)30-20-13-16(3)18(28)14-19(20)29)32-24(35)25(37-5-2)31(26(32)36)15-17-9-7-6-8-10-17;1-10-9-11(2)7-5-3-4-6-8(7)12-9;1-7(9)10-8-5-3-2-4-6-8;1-2/h23-24,27-32,35-36,38-39,48H,5-22,25-26,33-34,37H2,1-4H3,(H,56,61)(H,57,62);7-22,25-26,28,31,36,46H,6,23-24,27H2,1-5H3,(H,47,52)(H,48,49);6-7,9-10,12-15,17-18,28H,8,11,16H2,1-5H3,(H,33,38)(H,34,40);2-13,16-17,28,35H,14-15H2,1H3,(H,33,39);5-16,24,28H,4,17H2,1-3H3,(H,31,35);6-10,13-14,21,25H,4-5,11-12,15H2,1-3H3,(H,30,34);3-6H,1-2H3;2-6H,1H3;1-2H3/b;;;;;;10-9-;;
InChIKeyRJFJRIYJLVXDNN-DRAHOILGSA-N
MW4497.64 g/mol
LogP46.93
Rot. Bonds93

About 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate

2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate (PubChem CID 160641386) has the molecular formula C233H259Cl8N31O39S3 and a molecular weight of 4497.64 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate
PubChem CID160641386
Molecular FormulaC233H259Cl8N31O39S3
Molecular Weight4497.64 g/mol
Exact Mass4490.59
IUPAC Name2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate
SMILESC/N=c1\sc2ccccc2n1C.CC.CC(=O)Oc1ccccc1.CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)c(OS(=O)NCC(C)c2nc3c(-n4cccn4)c(OCCOc4ccccc4)cn3[nH]2)c1.CCCCCCCCCCCCOC(=O)C(C)OOCc1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OCCCCCCCCCCCC)ccc2Cl)n2nnc3ccccc32)c1.CCOC1C(=O)N(C(C(=O)Nc2cc(C)c(Cl)cc2Cl)C(=O)C2(CC)CC2)C(=O)N1Cc1ccccc1.CCOC1C(=O)N(C(C(=O)Nc2cc(C)ccc2Cl)C(=O)c2ccc(OC)cc2)C(=O)N1Cc1ccccc1.Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)c(NC(=O)C(C(=O)N3CCc4ccccc43)n3nnc4ccccc43)c2)c1.Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3nnc4ccccc43)c2)c(C)c1
InChIInChI=1S/C53H73Cl2N5O10.C44H47N7O8S.C31H34ClN5O4.C30H24Cl2N6O4S.C29H28ClN3O6.C27H29Cl2N3O5.C9H10N2S.C8H8O2.C2H6/c1-5-7-9-11-13-15-17-19-21-25-33-66-51(63)38(3)69-53(65)41-30-32-43(55)46(36-41)57-50(62)48(60-47-28-24-23-27-44(47)58-59-60)49(61)56-45-35-40(29-31-42(45)54)37-68-70-39(4)52(64)67-34-26-22-20-18-16-14-12-10-8-6-2;1-6-36(58-37-19-13-29(2)25-30(37)3)44(52)47-32-14-20-38(57-35-17-15-33(54-5)16-18-35)39(26-32)59-60(53)46-27-31(4)42-48-43-41(50-22-10-21-45-50)40(28-51(43)49-42)56-24-23-55-34-11-8-7-9-12-34;1-19-12-15-26(20(2)17-19)41-16-8-11-27(38)33-21-13-14-22(32)24(18-21)34-30(40)28(29(39)31(3,4)5)37-25-10-7-6-9-23(25)35-36-37;1-18-10-12-22(32)25(16-18)35-43(41,42)20-11-13-21(31)24(17-20)33-29(39)28(38-27-9-5-3-7-23(27)34-36-38)30(40)37-15-14-19-6-2-4-8-26(19)37;1-4-39-28-27(36)33(29(37)32(28)17-19-8-6-5-7-9-19)24(25(34)20-11-13-21(38-3)14-12-20)26(35)31-23-16-18(2)10-15-22(23)30;1-4-27(11-12-27)22(33)21(23(34)30-20-13-16(3)18(28)14-19(20)29)32-24(35)25(37-5-2)31(26(32)36)15-17-9-7-6-8-10-17;1-10-9-11(2)7-5-3-4-6-8(7)12-9;1-7(9)10-8-5-3-2-4-6-8;1-2/h23-24,27-32,35-36,38-39,48H,5-22,25-26,33-34,37H2,1-4H3,(H,56,61)(H,57,62);7-22,25-26,28,31,36,46H,6,23-24,27H2,1-5H3,(H,47,52)(H,48,49);6-7,9-10,12-15,17-18,28H,8,11,16H2,1-5H3,(H,33,38)(H,34,40);2-13,16-17,28,35H,14-15H2,1H3,(H,33,39);5-16,24,28H,4,17H2,1-3H3,(H,31,35);6-10,13-14,21,25H,4-5,11-12,15H2,1-3H3,(H,30,34);3-6H,1-2H3;2-6H,1H3;1-2H3/b;;;;;;10-9-;;
InChIKeyRJFJRIYJLVXDNN-DRAHOILGSA-N
XLogP46.93
TPSA837.12 Ų
H-Bond Donors11
H-Bond Acceptors55
Rotatable Bonds93
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004497.64
LogP ≤ 546.93
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1055

Analyze 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate with MolForge

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Related Compounds

N-[3-[[1-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-3,3-dimethyl-2-oxobutyl]amino]-4-chlorophenyl]-2-(2,4-dimethylphenoxy)butanamide;dodecyl 3-[[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate;(4-phenylmethoxyphenyl) 4-[1-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzenesulfinate
CID 90873137
2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;phenyl acetate
CID 91336505
phenyl 1-[1-[2-chloro-5-(1-dodecoxy-1-oxopropan-2-yl)oxycarbonylanilino]-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-1,3-dioxopropan-2-yl]benzotriazole-5-carboxylate
CID 54443043
2-(benzotriazol-1-yl)-N-[2-chloro-5-[[4-(2,4-dimethylphenyl)-4-hydroxybutanoyl]amino]phenyl]-4,4-dimethyl-3-oxopentanamide;N,3-dimethyl-1,3-benzothiazol-2-imine
CID 91352449
2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-[(3,5-diethylphenoxy)methylamino]benzene-1,4-diol;2,5-dimethylbenzene-1,4-diol;ethane;2-hexadecylbenzene-1,4-diol;2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;phenyl acetate
CID 157060667
2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane
CID 159475095
2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide
CID 91336245
N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate
CID 54256750
2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide;butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate;N-(2-chloro-5-methylphenyl)-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide;3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
CID 161174453
1-[1-(2,3-dihydroindol-1-yl)-3-[5-(dodecylsulfamoyl)-2-methylanilino]-1,3-dioxopropan-2-yl]pyrazole-4-carboxylic acid;1-[1-(2,3-dihydroindol-1-yl)-3-[2-(4-octoxyphenoxy)anilino]-1,3-dioxopropan-2-yl]pyrazole-4-carboxylic acid
CID 91008831
[2-(4-tert-butylphenyl)-7-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]tetradecanamide;dodecyl 3-[[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-3-(4-methoxyphenyl)-3-oxopropanoyl]amino]-4-chlorobenzoate
CID 160580995
2-(benzotriazol-1-ylmethyl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide
CID 20717516

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate (CID 160641386) is 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate is C/N=c1\sc2ccccc2n1C.CC.CC(=O)Oc1ccccc1.CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)c(OS(=O)NCC(C)c2nc3c(-n4cccn4)c(OCCOc4ccccc4)cn3[nH]2)c1.CCCCCCCCCCCCOC(=O)C(C)OOCc1ccc(Cl)c(NC(=O)C(C(=O)Nc2cc(C(=O)OC(C)C(=O)OCCCCCCCCCCCC)ccc2Cl)n2nnc3ccccc32)c1.CCOC1C(=O)N(C(C(=O)Nc2cc(C)c(Cl)cc2Cl)C(=O)C2(CC)CC2)C(=O)N1Cc1ccccc1.CCOC1C(=O)N(C(C(=O)Nc2cc(C)ccc2Cl)C(=O)c2ccc(OC)cc2)C(=O)N1Cc1ccccc1.Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)c(NC(=O)C(C(=O)N3CCc4ccccc43)n3nnc4ccccc43)c2)c1.Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3nnc4ccccc43)c2)c(C)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate?
The InChIKey is RJFJRIYJLVXDNN-DRAHOILGSA-N. The full InChI is InChI=1S/C53H73Cl2N5O10.C44H47N7O8S.C31H34ClN5O4.C30H24Cl2N6O4S.C29H28ClN3O6.C27H29Cl2N3O5.C9H10N2S.C8H8O2.C2H6/c1-5-7-9-11-13-15-17-19-21-25-33-66-51(63)38(3)69-53(65)41-30-32-43(55)46(36-41)57-50(62)48(60-47-28-24-23-27-44(47)58-59-60)49(61)56-45-35-40(29-31-42(45)54)37-68-70-39(4)52(64)67-34-26-22-20-18-16-14-12-10-8-6-2;1-6-36(58-37-19-13-29(2)25-30(37)3)44(52)47-32-14-20-38(57-35-17-15-33(54-5)16-18-35)39(26-32)59-60(53)46-27-31(4)42-48-43-41(50-22-10-21-45-50)40(28-51(43)49-42)56-24-23-55-34-11-8-7-9-12-34;1-19-12-15-26(20(2)17-19)41-16-8-11-27(38)33-21-13-14-22(32)24(18-21)34-30(40)28(29(39)31(3,4)5)37-25-10-7-6-9-23(25)35-36-37;1-18-10-12-22(32)25(16-18)35-43(41,42)20-11-13-21(31)24(17-20)33-29(39)28(38-27-9-5-3-7-23(27)34-36-38)30(40)37-15-14-19-6-2-4-8-26(19)37;1-4-39-28-27(36)33(29(37)32(28)17-19-8-6-5-7-9-19)24(25(34)20-11-13-21(38-3)14-12-20)26(35)31-23-16-18(2)10-15-22(23)30;1-4-27(11-12-27)22(33)21(23(34)30-20-13-16(3)18(28)14-19(20)29)32-24(35)25(37-5-2)31(26(32)36)15-17-9-7-6-8-10-17;1-10-9-11(2)7-5-3-4-6-8(7)12-9;1-7(9)10-8-5-3-2-4-6-8;1-2/h23-24,27-32,35-36,38-39,48H,5-22,25-26,33-34,37H2,1-4H3,(H,56,61)(H,57,62);7-22,25-26,28,31,36,46H,6,23-24,27H2,1-5H3,(H,47,52)(H,48,49);6-7,9-10,12-15,17-18,28H,8,11,16H2,1-5H3,(H,33,38)(H,34,40);2-13,16-17,28,35H,14-15H2,1H3,(H,33,39);5-16,24,28H,4,17H2,1-3H3,(H,31,35);6-10,13-14,21,25H,4-5,11-12,15H2,1-3H3,(H,30,34);3-6H,1-2H3;2-6H,1H3;1-2H3/b;;;;;;10-9-;;.
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate?
2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate has a molecular weight of 4497.64 g/mol, XLogP of 46.93, 93 rotatable bonds, 11 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-chloro-5-[(2-chloro-5-methylphenyl)sulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide;2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dichloro-5-methylphenyl)-3-(1-ethylcyclopropyl)-3-oxopropanamide;N,3-dimethyl-1,3-benzothiazol-2-imine;2-(2,4-dimethylphenoxy)-N-[4-(4-methoxyphenoxy)-3-[2-[6-(2-phenoxyethoxy)-7-pyrazol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]propylsulfinamoyloxy]phenyl]butanamide;(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(benzotriazol-1-yl)-3-[2-chloro-5-[(1-dodecoxy-1-oxopropan-2-yl)peroxymethyl]anilino]-3-oxopropanoyl]amino]-4-chlorobenzoate;ethane;phenyl acetate is sourced from PubChem (CID 160641386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).