5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide

C32H37N3O3S — CID 58622331

IUPAC5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NC4CCCCCC4)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C32H37N3O3S/c1-32(2,3)23-15-18-26(19-16-23)39(37,38)35-25-17-20-28-27(21-25)29(22-11-7-6-8-12-22)30(34-28)31(36)33-24-13-9-4-5-10-14-24/h6-8,11-12,15-21,24,34-35H,4-5,9-10,13-14H2,1-3H3,(H,33,36)
InChIKeyOPZLPJBASURUQQ-UHFFFAOYSA-N
MW543.73 g/mol
LogP7.39
Rot. Bonds6

About 5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide

5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide (PubChem CID 58622331) has the molecular formula C32H37N3O3S and a molecular weight of 543.73 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide
PubChem CID58622331
Molecular FormulaC32H37N3O3S
Molecular Weight543.73 g/mol
Exact Mass543.26
IUPAC Name5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NC4CCCCCC4)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C32H37N3O3S/c1-32(2,3)23-15-18-26(19-16-23)39(37,38)35-25-17-20-28-27(21-25)29(22-11-7-6-8-12-22)30(34-28)31(36)33-24-13-9-4-5-10-14-24/h6-8,11-12,15-21,24,34-35H,4-5,9-10,13-14H2,1-3H3,(H,33,36)
InChIKeyOPZLPJBASURUQQ-UHFFFAOYSA-N
XLogP7.39
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.73
LogP ≤ 57.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indole-2-carboxamide
CID 58622329
5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 11649677
5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide
CID 11599028
5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 58622320
5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide
CID 58770293
5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide
CID 58622370
5-[(4-tert-butylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]-3-phenyl-1H-indole-2-carboxamide
CID 58622313
4-tert-butyl-N-[2-[3-(cyclopropylmethyl)but-3-enoyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide
CID 143202698
5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide
CID 68851219
4-tert-butyl-N-(1H-indol-5-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indole-2-carboxylic acid
CID 159239888
5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 58622297
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] hydrogen carbonate
CID 68849323

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide (CID 58622331) is 5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NC4CCCCCC4)c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is OPZLPJBASURUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O3S/c1-32(2,3)23-15-18-26(19-16-23)39(37,38)35-25-17-20-28-27(21-25)29(22-11-7-6-8-12-22)30(34-28)31(36)33-24-13-9-4-5-10-14-24/h6-8,11-12,15-21,24,34-35H,4-5,9-10,13-14H2,1-3H3,(H,33,36).
What are the key properties of 5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide?
5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 543.73 g/mol, XLogP of 7.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 58622331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).