1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide

C40H47ClN4O5S — CID 71010771

About 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide

1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide (PubChem CID 71010771) has the molecular formula C40H47ClN4O5S and a molecular weight of 731.36 g/mol. Its IUPAC name is 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide.

Molecular Properties

• Compound Name: 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide
• PubChem CID: 71010771
• Molecular Formula: C40H47ClN4O5S
• Molecular Weight: 731.36 g/mol
• Exact Mass: 730.30
• IUPAC Name: 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide
• SMILES: COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2CC2(C(=O)N3CCC(c4ccc(Cl)cc4)CC3)CC2)cc1
• InChI: InChI=1S/C40H47ClN4O5S/c1-43(2)51(48,49)42-38(46)31-13-18-34-35(25-31)45(37(30-11-16-33(50-3)17-12-30)36(34)29-7-5-4-6-8-29)26-40(21-22-40)39(47)44-23-19-28(20-24-44)27-9-14-32(41)15-10-27/h9-18,25,28-29H,4-8,19-24,26H2,1-3H3,(H,42,46)
• InChIKey: RDDDCRJYYKNNKH-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 100.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.36
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide?

The IUPAC name of 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide (CID 71010771) is 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide.

What is the SMILES notation for 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide?

The canonical SMILES for 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide is COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2CC2(C(=O)N3CCC(c4ccc(Cl)cc4)CC3)CC2)cc1.

What is the InChIKey of 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide?

The InChIKey is RDDDCRJYYKNNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47ClN4O5S/c1-43(2)51(48,49)42-38(46)31-13-18-34-35(25-31)45(37(30-11-16-33(50-3)17-12-30)36(34)29-7-5-4-6-8-29)26-40(21-22-40)39(47)44-23-19-28(20-24-44)27-9-14-32(41)15-10-27/h9-18,25,28-29H,4-8,19-24,26H2,1-3H3,(H,42,46).

What are the key properties of 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide?

1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide has a molecular weight of 731.36 g/mol, XLogP of 7.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[4-(4-chlorophenyl)piperidine-1-carbonyl]cyclopropyl]methyl]-3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)indole-6-carboxamide is sourced from PubChem (CID 71010771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).