1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C27H35N3O4S — CID 50815951

IUPAC1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C27H35N3O4S/c1-19(2)28-26(31)25-12-7-17-30(25)27(32)22-10-6-11-23(18-22)29-35(33,34)24-15-13-21(14-16-24)20-8-4-3-5-9-20/h6,10-11,13-16,18-20,25,29H,3-5,7-9,12,17H2,1-2H3,(H,28,31)
InChIKeyCYAYKRVQRQSNFV-UHFFFAOYSA-N
MW497.66 g/mol
LogP4.66
Rot. Bonds7

About 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 50815951) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID50815951
Molecular FormulaC27H35N3O4S
Molecular Weight497.66 g/mol
Exact Mass497.23
IUPAC Name1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C27H35N3O4S/c1-19(2)28-26(31)25-12-7-17-30(25)27(32)22-10-6-11-23(18-22)29-35(33,34)24-15-13-21(14-16-24)20-8-4-3-5-9-20/h6,10-11,13-16,18-20,25,29H,3-5,7-9,12,17H2,1-2H3,(H,28,31)
InChIKeyCYAYKRVQRQSNFV-UHFFFAOYSA-N
XLogP4.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46375219
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019
(2S)-1-[3-(benzenesulfonamido)benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 92728331
(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 92729981
N-butan-2-yl-1-[3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50816110
N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 50816049
(2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728260
(2S)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92728389
1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815971
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
N-cyclopropyl-3-[(4-cyclopropylphenyl)sulfonylamino]benzamide
CID 167833629
(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370582

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 50815951) is 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is CYAYKRVQRQSNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-19(2)28-26(31)25-12-7-17-30(25)27(32)22-10-6-11-23(18-22)29-35(33,34)24-15-13-21(14-16-24)20-8-4-3-5-9-20/h6,10-11,13-16,18-20,25,29H,3-5,7-9,12,17H2,1-2H3,(H,28,31).
What are the key properties of 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 497.66 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 50815951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).