(6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide

C37H46N6O6S — CID 69497244

About (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide

(6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 69497244) has the molecular formula C37H46N6O6S and a molecular weight of 702.88 g/mol. Its IUPAC name is (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

• Compound Name: (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
• PubChem CID: 69497244
• Molecular Formula: C37H46N6O6S
• Molecular Weight: 702.88 g/mol
• Exact Mass: 702.32
• IUPAC Name: (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
• SMILES: COc1ccc2c(c1)C[C@](C)(C(=O)N1CCC(c3nnc(C)o3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
• InChI: InChI=1S/C37H46N6O6S/c1-23-38-39-35(49-23)25-15-17-42(18-16-25)36(45)37(2)21-27-19-28(48-5)12-14-29(27)33-32(24-9-7-6-8-10-24)30-13-11-26(20-31(30)43(33)22-37)34(44)40-50(46,47)41(3)4/h11-14,19-20,24-25H,6-10,15-18,21-22H2,1-5H3,(H,40,44)/t37-/m0/s1
• InChIKey: FMTVRYPVSHDUMJ-QNGWXLTQSA-N
• XLogP: 5.56
• TPSA: 139.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.88
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

The IUPAC name of (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide (CID 69497244) is (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide.

What is the SMILES notation for (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

The canonical SMILES for (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide is COc1ccc2c(c1)C[C@](C)(C(=O)N1CCC(c3nnc(C)o3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.

What is the InChIKey of (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

The InChIKey is FMTVRYPVSHDUMJ-QNGWXLTQSA-N. The full InChI is InChI=1S/C37H46N6O6S/c1-23-38-39-35(49-23)25-15-17-42(18-16-25)36(45)37(2)21-27-19-28(48-5)12-14-29(27)33-32(24-9-7-6-8-10-24)30-13-11-26(20-31(30)43(33)22-37)34(44)40-50(46,47)41(3)4/h11-14,19-20,24-25H,6-10,15-18,21-22H2,1-5H3,(H,40,44)/t37-/m0/s1.

What are the key properties of (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

(6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 702.88 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 69497244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).