3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide

C219H280F3N25O36S11 — CID 158574212

IUPAC3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide
SMILESCC1[C@@H](C)O[C@@H](C)CN1c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc(N2C[C@@H](C)O[C@@H](C)C2)c1C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2c1CCC2.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2c1OCCO2.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cccc1C(=O)NC(C)C.Cc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2c1CCC2.Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c2c1CCCC2
InChIInChI=1S/2C25H35N3O4S.C24H33N3O4S.C22H29N3O4S.2C22H28N2O3S.C21H26N2O3S.C20H24N2O5S.C19H21F3N2O3S.C19H21N3O3S2/c1-16-12-22(28-14-18(3)32-19(4)15-28)13-17(2)23(16)26-24(29)20-8-10-21(11-9-20)27-33(30,31)25(5,6)7;1-16-14-28(15-17(2)32-16)23-13-12-22(18(3)19(23)4)26-24(29)20-8-10-21(11-9-20)27-33(30,31)25(5,6)7;1-16-15-27(17(2)18(3)31-16)22-13-11-20(12-14-22)25-23(28)19-7-9-21(10-8-19)26-32(29,30)24(4,5)6;1-14(2)23-21(27)18-8-7-9-19(15(18)3)24-20(26)16-10-12-17(13-11-16)25-30(28,29)22(4,5)6;1-14-13-20(15(2)19-8-6-7-18(14)19)23-21(25)16-9-11-17(12-10-16)24-28(26,27)22(3,4)5;1-15-9-14-20(19-8-6-5-7-18(15)19)23-21(25)16-10-12-17(13-11-16)24-28(26,27)22(2,3)4;1-14-18-7-5-6-15(18)10-13-19(14)22-20(24)16-8-11-17(12-9-16)23-27(25,26)21(2,3)4;1-13-16(9-10-17-18(13)27-12-11-26-17)21-19(23)14-5-7-15(8-6-14)22-28(24,25)20(2,3)4;1-12-11-14(19(20,21)22)7-10-16(12)23-17(25)13-5-8-15(9-6-13)24-28(26,27)18(2,3)4;1-12-15(9-10-16-17(12)26-11-20-16)21-18(23)13-5-7-14(8-6-13)22-27(24,25)19(2,3)4/h8-13,18-19,27H,14-15H2,1-7H3,(H,26,29);8-13,16-17,27H,14-15H2,1-7H3,(H,26,29);7-14,16-18,26H,15H2,1-6H3,(H,25,28);7-14,25H,1-6H3,(H,23,27)(H,24,26);9-13,24H,6-8H2,1-5H3,(H,23,25);9-14,24H,5-8H2,1-4H3,(H,23,25);8-13,23H,5-7H2,1-4H3,(H,22,24);5-10,22H,11-12H2,1-4H3,(H,21,23);5-11,24H,1-4H3,(H,23,25);5-11,22H,1-4H3,(H,21,23)/t18-,19+;16-,17+;16-,17?,18+;;;;;;;/m..0......./s1
InChIKeyHSLOOIINSGVEMA-MSQSMIDXSA-N
MW4248.52 g/mol
LogP44.12
Rot. Bonds45

About 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide

3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide (PubChem CID 158574212) has the molecular formula C219H280F3N25O36S11 and a molecular weight of 4248.52 g/mol. Its IUPAC name is 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide
PubChem CID158574212
Molecular FormulaC219H280F3N25O36S11
Molecular Weight4248.52 g/mol
Exact Mass4244.77
IUPAC Name3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide
SMILESCC1[C@@H](C)O[C@@H](C)CN1c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc(N2C[C@@H](C)O[C@@H](C)C2)c1C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2c1CCC2.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2c1OCCO2.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cccc1C(=O)NC(C)C.Cc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2c1CCC2.Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c2c1CCCC2
InChIInChI=1S/2C25H35N3O4S.C24H33N3O4S.C22H29N3O4S.2C22H28N2O3S.C21H26N2O3S.C20H24N2O5S.C19H21F3N2O3S.C19H21N3O3S2/c1-16-12-22(28-14-18(3)32-19(4)15-28)13-17(2)23(16)26-24(29)20-8-10-21(11-9-20)27-33(30,31)25(5,6)7;1-16-14-28(15-17(2)32-16)23-13-12-22(18(3)19(23)4)26-24(29)20-8-10-21(11-9-20)27-33(30,31)25(5,6)7;1-16-15-27(17(2)18(3)31-16)22-13-11-20(12-14-22)25-23(28)19-7-9-21(10-8-19)26-32(29,30)24(4,5)6;1-14(2)23-21(27)18-8-7-9-19(15(18)3)24-20(26)16-10-12-17(13-11-16)25-30(28,29)22(4,5)6;1-14-13-20(15(2)19-8-6-7-18(14)19)23-21(25)16-9-11-17(12-10-16)24-28(26,27)22(3,4)5;1-15-9-14-20(19-8-6-5-7-18(15)19)23-21(25)16-10-12-17(13-11-16)24-28(26,27)22(2,3)4;1-14-18-7-5-6-15(18)10-13-19(14)22-20(24)16-8-11-17(12-9-16)23-27(25,26)21(2,3)4;1-13-16(9-10-17-18(13)27-12-11-26-17)21-19(23)14-5-7-15(8-6-14)22-28(24,25)20(2,3)4;1-12-11-14(19(20,21)22)7-10-16(12)23-17(25)13-5-8-15(9-6-13)24-28(26,27)18(2,3)4;1-12-15(9-10-16-17(12)26-11-20-16)21-18(23)13-5-7-14(8-6-13)22-27(24,25)19(2,3)4/h8-13,18-19,27H,14-15H2,1-7H3,(H,26,29);8-13,16-17,27H,14-15H2,1-7H3,(H,26,29);7-14,16-18,26H,15H2,1-6H3,(H,25,28);7-14,25H,1-6H3,(H,23,27)(H,24,26);9-13,24H,6-8H2,1-5H3,(H,23,25);9-14,24H,5-8H2,1-4H3,(H,23,25);8-13,23H,5-7H2,1-4H3,(H,22,24);5-10,22H,11-12H2,1-4H3,(H,21,23);5-11,24H,1-4H3,(H,23,25);5-11,22H,1-4H3,(H,21,23)/t18-,19+;16-,17+;16-,17?,18+;;;;;;;/m..0......./s1
InChIKeyHSLOOIINSGVEMA-MSQSMIDXSA-N
XLogP44.12
TPSA850.56 Ų
H-Bond Donors21
H-Bond Acceptors41
Rotatable Bonds45
Heavy Atoms294
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004248.52
LogP ≤ 544.12
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1041

Analyze 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide?
The IUPAC name of 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide (CID 158574212) is 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide.
What is the SMILES notation for 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide?
The canonical SMILES for 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide is CC1[C@@H](C)O[C@@H](C)CN1c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc(N2C[C@@H](C)O[C@@H](C)C2)c1C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2c1CCC2.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2c1OCCO2.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cccc1C(=O)NC(C)C.Cc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2c1CCC2.Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c2c1CCCC2.
What is the InChIKey of 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide?
The InChIKey is HSLOOIINSGVEMA-MSQSMIDXSA-N. The full InChI is InChI=1S/2C25H35N3O4S.C24H33N3O4S.C22H29N3O4S.2C22H28N2O3S.C21H26N2O3S.C20H24N2O5S.C19H21F3N2O3S.C19H21N3O3S2/c1-16-12-22(28-14-18(3)32-19(4)15-28)13-17(2)23(16)26-24(29)20-8-10-21(11-9-20)27-33(30,31)25(5,6)7;1-16-14-28(15-17(2)32-16)23-13-12-22(18(3)19(23)4)26-24(29)20-8-10-21(11-9-20)27-33(30,31)25(5,6)7;1-16-15-27(17(2)18(3)31-16)22-13-11-20(12-14-22)25-23(28)19-7-9-21(10-8-19)26-32(29,30)24(4,5)6;1-14(2)23-21(27)18-8-7-9-19(15(18)3)24-20(26)16-10-12-17(13-11-16)25-30(28,29)22(4,5)6;1-14-13-20(15(2)19-8-6-7-18(14)19)23-21(25)16-9-11-17(12-10-16)24-28(26,27)22(3,4)5;1-15-9-14-20(19-8-6-5-7-18(15)19)23-21(25)16-10-12-17(13-11-16)24-28(26,27)22(2,3)4;1-14-18-7-5-6-15(18)10-13-19(14)22-20(24)16-8-11-17(12-9-16)23-27(25,26)21(2,3)4;1-13-16(9-10-17-18(13)27-12-11-26-17)21-19(23)14-5-7-15(8-6-14)22-28(24,25)20(2,3)4;1-12-11-14(19(20,21)22)7-10-16(12)23-17(25)13-5-8-15(9-6-13)24-28(26,27)18(2,3)4;1-12-15(9-10-16-17(12)26-11-20-16)21-18(23)13-5-7-14(8-6-13)22-27(24,25)19(2,3)4/h8-13,18-19,27H,14-15H2,1-7H3,(H,26,29);8-13,16-17,27H,14-15H2,1-7H3,(H,26,29);7-14,16-18,26H,15H2,1-6H3,(H,25,28);7-14,25H,1-6H3,(H,23,27)(H,24,26);9-13,24H,6-8H2,1-5H3,(H,23,25);9-14,24H,5-8H2,1-4H3,(H,23,25);8-13,23H,5-7H2,1-4H3,(H,22,24);5-10,22H,11-12H2,1-4H3,(H,21,23);5-11,24H,1-4H3,(H,23,25);5-11,22H,1-4H3,(H,21,23)/t18-,19+;16-,17+;16-,17?,18+;;;;;;;/m..0......./s1.
What are the key properties of 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide?
3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide has a molecular weight of 4248.52 g/mol, XLogP of 44.12, 45 rotatable bonds, 21 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2-methyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,6-dimethylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide is sourced from PubChem (CID 158574212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).