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

C40H49N5O5S — CID 71010738

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

3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropyl]methyl]indole-6-carboxamide (PubChem CID 71010738) has the molecular formula C40H49N5O5S and a molecular weight of 711.93 g/mol. Its IUPAC name is 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropyl]methyl]indole-6-carboxamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropyl]methyl]indole-6-carboxamide
• PubChem CID: 71010738
• Molecular Formula: C40H49N5O5S
• Molecular Weight: 711.93 g/mol
• Exact Mass: 711.35
• IUPAC Name: 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropyl]methyl]indole-6-carboxamide
• SMILES: COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2CC2(C(=O)N3CCN(C)CC3c3ccccc3)CC2)cc1
• InChI: InChI=1S/C40H49N5O5S/c1-42(2)51(48,49)41-38(46)31-17-20-33-34(25-31)45(37(30-15-18-32(50-4)19-16-30)36(33)29-13-9-6-10-14-29)27-40(21-22-40)39(47)44-24-23-43(3)26-35(44)28-11-7-5-8-12-28/h5,7-8,11-12,15-20,25,29,35H,6,9-10,13-14,21-24,26-27H2,1-4H3,(H,41,46)
• InChIKey: GGNJFUXTTNJEJI-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 104.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.93
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropyl]methyl]indole-6-carboxamide (CID 71010738) is 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropyl]methyl]indole-6-carboxamide.

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

The canonical SMILES for 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropyl]methyl]indole-6-carboxamide is COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2CC2(C(=O)N3CCN(C)CC3c3ccccc3)CC2)cc1.

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

The InChIKey is GGNJFUXTTNJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N5O5S/c1-42(2)51(48,49)41-38(46)31-17-20-33-34(25-31)45(37(30-15-18-32(50-4)19-16-30)36(33)29-13-9-6-10-14-29)27-40(21-22-40)39(47)44-24-23-43(3)26-35(44)28-11-7-5-8-12-28/h5,7-8,11-12,15-20,25,29,35H,6,9-10,13-14,21-24,26-27H2,1-4H3,(H,41,46).

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

3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropyl]methyl]indole-6-carboxamide has a molecular weight of 711.93 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-(dimethylsulfamoyl)-2-(4-methoxyphenyl)-1-[[1-(4-methyl-2-phenylpiperazine-1-carbonyl)cyclopropyl]methyl]indole-6-carboxamide is sourced from PubChem (CID 71010738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).