6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate

C138H173N17O23S4 — CID 157205750

About 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate

6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate (PubChem CID 157205750) has the molecular formula C138H173N17O23S4 and a molecular weight of 2566.27 g/mol. Its IUPAC name is 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate.

Molecular Properties

• Compound Name: 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate
• PubChem CID: 157205750
• Molecular Formula: C138H173N17O23S4
• Molecular Weight: 2566.27 g/mol
• Exact Mass: 2564.18
• IUPAC Name: 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate
• SMILES: CC(=O)NC1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2C1.COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)N(C)C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCN(C)CC3)cc21.COc1ccc2c(c1)CC(C(=O)N1CCC[C@H](OC(C)=O)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.C[C@@H]1CN(C(=O)C2=Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)OCC(C)(C)C)cc4n3C2)C[C@H](C)O1
• InChI: InChI=1S/C39H50N6O6S.C36H45N3O6S.C35H44N4O7S.C28H34N4O4S/c1-41(2)38(47)27-14-16-43(17-15-27)39(48)30-22-29-23-31(51-4)11-13-32(29)36-35(26-8-6-5-7-9-26)33-12-10-28(24-34(33)45(36)25-30)37(46)40-52(49,50)44-20-18-42(3)19-21-44;1-23-19-38(20-24(2)45-23)35(41)28-17-26-13-9-10-14-29(26)33-32(25-11-7-6-8-12-25)30-16-15-27(18-31(30)39(33)21-28)34(40)37-46(42,43)44-22-36(3,4)5;1-22(40)46-28-11-8-16-38(21-28)35(42)26-17-25-18-27(45-4)13-15-29(25)33-32(23-9-6-5-7-10-23)30-14-12-24(19-31(30)39(33)20-26)34(41)36-47(43,44)37(2)3;1-18(33)29-22-15-20-11-7-8-12-23(20)27-26(19-9-5-4-6-10-19)24-14-13-21(16-25(24)32(27)17-22)28(34)30-37(35,36)31(2)3/h10-13,22-24,26-27H,5-9,14-21,25H2,1-4H3,(H,40,46);9-10,13-18,23-25H,6-8,11-12,19-22H2,1-5H3,(H,37,40);12-15,18-19,23,26,28H,5-11,16-17,20-21H2,1-4H3,(H,36,41);7-8,11-14,16,19,22H,4-6,9-10,15,17H2,1-3H3,(H,29,33)(H,30,34)/t;23-,24+;26?,28-;/m..0./s1
• InChIKey: ARIJUEVLLKGVKW-UCUCOFEDSA-N
• XLogP: 19.32
• TPSA: 459.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2566.27
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate?

The IUPAC name of 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate (CID 157205750) is 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate.

What is the SMILES notation for 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate?

The canonical SMILES for 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate is CC(=O)NC1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2C1.COc1ccc2c(c1)C=C(C(=O)N1CCC(C(=O)N(C)C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCN(C)CC3)cc21.COc1ccc2c(c1)CC(C(=O)N1CCC[C@H](OC(C)=O)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.C[C@@H]1CN(C(=O)C2=Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)OCC(C)(C)C)cc4n3C2)C[C@H](C)O1.

What is the InChIKey of 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate?

The InChIKey is ARIJUEVLLKGVKW-UCUCOFEDSA-N. The full InChI is InChI=1S/C39H50N6O6S.C36H45N3O6S.C35H44N4O7S.C28H34N4O4S/c1-41(2)38(47)27-14-16-43(17-15-27)39(48)30-22-29-23-31(51-4)11-13-32(29)36-35(26-8-6-5-7-9-26)33-12-10-28(24-34(33)45(36)25-30)37(46)40-52(49,50)44-20-18-42(3)19-21-44;1-23-19-38(20-24(2)45-23)35(41)28-17-26-13-9-10-14-29(26)33-32(25-11-7-6-8-12-25)30-16-15-27(18-31(30)39(33)21-28)34(40)37-46(42,43)44-22-36(3,4)5;1-22(40)46-28-11-8-16-38(21-28)35(42)26-17-25-18-27(45-4)13-15-29(25)33-32(23-9-6-5-7-10-23)30-14-12-24(19-31(30)39(33)20-26)34(41)36-47(43,44)37(2)3;1-18(33)29-22-15-20-11-7-8-12-23(20)27-26(19-9-5-4-6-10-19)24-14-13-21(16-25(24)32(27)17-22)28(34)30-37(35,36)31(2)3/h10-13,22-24,26-27H,5-9,14-21,25H2,1-4H3,(H,40,46);9-10,13-18,23-25H,6-8,11-12,19-22H2,1-5H3,(H,37,40);12-15,18-19,23,26,28H,5-11,16-17,20-21H2,1-4H3,(H,36,41);7-8,11-14,16,19,22H,4-6,9-10,15,17H2,1-3H3,(H,29,33)(H,30,34)/t;23-,24+;26?,28-;/m..0./s1.

What are the key properties of 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate?

6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate has a molecular weight of 2566.27 g/mol, XLogP of 19.32, 25 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetamido-13-cyclohexyl-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[(3S)-1-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperidin-3-yl] acetate;2,2-dimethylpropyl N-[13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carbonyl]sulfamate is sourced from PubChem (CID 157205750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).