3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide

C258H309F6N27O40S16 — CID 158262409

IUPAC3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.CC1COc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2O1.CC1c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2C(C)C1C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc(C)c2sccc12.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc(C(F)(F)F)c1C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2c1CCC2C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2ccsc12.Cc1cc(N2C[C@H](C)O[C@H](C)C2C)c(C)cc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c(C(=O)NC(C)C)c1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2sccc12.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2scnc12
InChIInChI=1S/C26H37N3O4S.C24H24N2O3S.C23H31N3O4S.C23H30N2O3S.C22H28N2O3S.2C21H24N2O3S2.C20H23F3N2O3S.C20H23N3O3S2.C20H24N2O5S.C20H22N2O3S2.C18H19F3N2O3S/c1-16-14-24(29-15-18(3)33-20(5)19(29)4)17(2)13-23(16)27-25(30)21-9-11-22(12-10-21)28-34(31,32)26(6,7)8;1-24(2,3)30(28,29)26-17-14-12-16(13-15-17)23(27)25-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22;1-14(2)24-22(28)19-12-15(3)13-20(16(19)4)25-21(27)17-8-10-18(11-9-17)26-31(29,30)23(5,6)7;1-14-15(2)20-12-11-19(13-21(20)16(14)3)24-22(26)17-7-9-18(10-8-17)25-29(27,28)23(4,5)6;1-14-6-11-19-15(2)20(13-12-18(14)19)23-21(25)16-7-9-17(10-8-16)24-28(26,27)22(3,4)5;1-13-12-18(14(2)17-10-11-27-19(13)17)22-20(24)15-6-8-16(9-7-15)23-28(25,26)21(3,4)5;1-13-12-18(14(2)19-17(13)10-11-27-19)22-20(24)15-6-8-16(9-7-15)23-28(25,26)21(3,4)5;1-12-13(2)17(11-10-16(12)20(21,22)23)24-18(26)14-6-8-15(9-7-14)25-29(27,28)19(3,4)5;1-12-10-16(13(2)18-17(12)21-11-27-18)22-19(24)14-6-8-15(9-7-14)23-28(25,26)20(3,4)5;1-13-12-26-17-10-9-16(11-18(17)27-13)21-19(23)14-5-7-15(8-6-14)22-28(24,25)20(2,3)4;1-13-17(10-7-14-11-12-26-18(13)14)21-19(23)15-5-8-16(9-6-15)22-27(24,25)20(2,3)4;1-17(2,3)27(25,26)23-14-9-7-12(8-10-14)16(24)22-15-6-4-5-13(11-15)18(19,20)21/h9-14,18-20,28H,15H2,1-8H3,(H,27,30);4-15,22,26H,1-3H3,(H,25,27);8-14,26H,1-7H3,(H,24,28)(H,25,27);7-16,25H,1-6H3,(H,24,26);7-10,12-14,24H,6,11H2,1-5H3,(H,23,25);2*6-12,23H,1-5H3,(H,22,24);6-11,25H,1-5H3,(H,24,26);6-11,23H,1-5H3,(H,22,24);5-11,13,22H,12H2,1-4H3,(H,21,23);5-12,22H,1-4H3,(H,21,23);4-11,23H,1-3H3,(H,22,24)/t18-,19?,20+;;;;;;;;;;;/m0.........../s1
InChIKeyGIALFLUUYAMKKV-XXNJZBFDSA-N
MW5055.52 g/mol
LogP57.81
Rot. Bonds51

About 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide

3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide (PubChem CID 158262409) has the molecular formula C258H309F6N27O40S16 and a molecular weight of 5055.52 g/mol. Its IUPAC name is 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide.

Molecular Properties

Compound Name3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
PubChem CID158262409
Molecular FormulaC258H309F6N27O40S16
Molecular Weight5055.52 g/mol
Exact Mass5050.84
IUPAC Name3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.CC1COc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2O1.CC1c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2C(C)C1C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc(C)c2sccc12.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc(C(F)(F)F)c1C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2c1CCC2C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2ccsc12.Cc1cc(N2C[C@H](C)O[C@H](C)C2C)c(C)cc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c(C(=O)NC(C)C)c1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2sccc12.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2scnc12
InChIInChI=1S/C26H37N3O4S.C24H24N2O3S.C23H31N3O4S.C23H30N2O3S.C22H28N2O3S.2C21H24N2O3S2.C20H23F3N2O3S.C20H23N3O3S2.C20H24N2O5S.C20H22N2O3S2.C18H19F3N2O3S/c1-16-14-24(29-15-18(3)33-20(5)19(29)4)17(2)13-23(16)27-25(30)21-9-11-22(12-10-21)28-34(31,32)26(6,7)8;1-24(2,3)30(28,29)26-17-14-12-16(13-15-17)23(27)25-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22;1-14(2)24-22(28)19-12-15(3)13-20(16(19)4)25-21(27)17-8-10-18(11-9-17)26-31(29,30)23(5,6)7;1-14-15(2)20-12-11-19(13-21(20)16(14)3)24-22(26)17-7-9-18(10-8-17)25-29(27,28)23(4,5)6;1-14-6-11-19-15(2)20(13-12-18(14)19)23-21(25)16-7-9-17(10-8-16)24-28(26,27)22(3,4)5;1-13-12-18(14(2)17-10-11-27-19(13)17)22-20(24)15-6-8-16(9-7-15)23-28(25,26)21(3,4)5;1-13-12-18(14(2)19-17(13)10-11-27-19)22-20(24)15-6-8-16(9-7-15)23-28(25,26)21(3,4)5;1-12-13(2)17(11-10-16(12)20(21,22)23)24-18(26)14-6-8-15(9-7-14)25-29(27,28)19(3,4)5;1-12-10-16(13(2)18-17(12)21-11-27-18)22-19(24)14-6-8-15(9-7-14)23-28(25,26)20(3,4)5;1-13-12-26-17-10-9-16(11-18(17)27-13)21-19(23)14-5-7-15(8-6-14)22-28(24,25)20(2,3)4;1-13-17(10-7-14-11-12-26-18(13)14)21-19(23)15-5-8-16(9-6-15)22-27(24,25)20(2,3)4;1-17(2,3)27(25,26)23-14-9-7-12(8-10-14)16(24)22-15-6-4-5-13(11-15)18(19,20)21/h9-14,18-20,28H,15H2,1-8H3,(H,27,30);4-15,22,26H,1-3H3,(H,25,27);8-14,26H,1-7H3,(H,24,28)(H,25,27);7-16,25H,1-6H3,(H,24,26);7-10,12-14,24H,6,11H2,1-5H3,(H,23,25);2*6-12,23H,1-5H3,(H,22,24);6-11,25H,1-5H3,(H,24,26);6-11,23H,1-5H3,(H,22,24);5-11,13,22H,12H2,1-4H3,(H,21,23);5-12,22H,1-4H3,(H,21,23);4-11,23H,1-3H3,(H,22,24)/t18-,19?,20+;;;;;;;;;;;/m0.........../s1
InChIKeyGIALFLUUYAMKKV-XXNJZBFDSA-N
XLogP57.81
TPSA976.16 Ų
H-Bond Donors25
H-Bond Acceptors46
Rotatable Bonds51
Heavy Atoms347
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005055.52
LogP ≤ 557.81
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1046

Analyze 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide?
The IUPAC name of 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide (CID 158262409) is 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide.
What is the SMILES notation for 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide?
The canonical SMILES for 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide is CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.CC1COc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2O1.CC1c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2C(C)C1C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc(C)c2sccc12.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc(C(F)(F)F)c1C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2c1CCC2C.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc2ccsc12.Cc1cc(N2C[C@H](C)O[C@H](C)C2C)c(C)cc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c(C(=O)NC(C)C)c1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2sccc12.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2scnc12.
What is the InChIKey of 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide?
The InChIKey is GIALFLUUYAMKKV-XXNJZBFDSA-N. The full InChI is InChI=1S/C26H37N3O4S.C24H24N2O3S.C23H31N3O4S.C23H30N2O3S.C22H28N2O3S.2C21H24N2O3S2.C20H23F3N2O3S.C20H23N3O3S2.C20H24N2O5S.C20H22N2O3S2.C18H19F3N2O3S/c1-16-14-24(29-15-18(3)33-20(5)19(29)4)17(2)13-23(16)27-25(30)21-9-11-22(12-10-21)28-34(31,32)26(6,7)8;1-24(2,3)30(28,29)26-17-14-12-16(13-15-17)23(27)25-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22;1-14(2)24-22(28)19-12-15(3)13-20(16(19)4)25-21(27)17-8-10-18(11-9-17)26-31(29,30)23(5,6)7;1-14-15(2)20-12-11-19(13-21(20)16(14)3)24-22(26)17-7-9-18(10-8-17)25-29(27,28)23(4,5)6;1-14-6-11-19-15(2)20(13-12-18(14)19)23-21(25)16-7-9-17(10-8-16)24-28(26,27)22(3,4)5;1-13-12-18(14(2)17-10-11-27-19(13)17)22-20(24)15-6-8-16(9-7-15)23-28(25,26)21(3,4)5;1-13-12-18(14(2)19-17(13)10-11-27-19)22-20(24)15-6-8-16(9-7-15)23-28(25,26)21(3,4)5;1-12-13(2)17(11-10-16(12)20(21,22)23)24-18(26)14-6-8-15(9-7-14)25-29(27,28)19(3,4)5;1-12-10-16(13(2)18-17(12)21-11-27-18)22-19(24)14-6-8-15(9-7-14)23-28(25,26)20(3,4)5;1-13-12-26-17-10-9-16(11-18(17)27-13)21-19(23)14-5-7-15(8-6-14)22-28(24,25)20(2,3)4;1-13-17(10-7-14-11-12-26-18(13)14)21-19(23)15-5-8-16(9-6-15)22-27(24,25)20(2,3)4;1-17(2,3)27(25,26)23-14-9-7-12(8-10-14)16(24)22-15-6-4-5-13(11-15)18(19,20)21/h9-14,18-20,28H,15H2,1-8H3,(H,27,30);4-15,22,26H,1-3H3,(H,25,27);8-14,26H,1-7H3,(H,24,28)(H,25,27);7-16,25H,1-6H3,(H,24,26);7-10,12-14,24H,6,11H2,1-5H3,(H,23,25);2*6-12,23H,1-5H3,(H,22,24);6-11,25H,1-5H3,(H,24,26);6-11,23H,1-5H3,(H,22,24);5-11,13,22H,12H2,1-4H3,(H,21,23);5-12,22H,1-4H3,(H,21,23);4-11,23H,1-3H3,(H,22,24)/t18-,19?,20+;;;;;;;;;;;/m0.........../s1.
What are the key properties of 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide?
3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide has a molecular weight of 5055.52 g/mol, XLogP of 57.81, 51 rotatable bonds, 25 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(tert-butylsulfonylamino)benzoyl]amino]-2,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2,5-dimethyl-4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)benzamide;4-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(1,2,3-trimethyl-2,3-dihydro-1H-inden-5-yl)benzamide is sourced from PubChem (CID 158262409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).