1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide

C24H31N3O5S — CID 50831114

IUPAC1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)C1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C24H31N3O5S/c1-17-7-12-22(18(2)16-17)33(30,31)26-20-10-8-19(9-11-20)24(29)27-14-4-6-21(27)23(28)25-13-5-15-32-3/h7-12,16,21,26H,4-6,13-15H2,1-3H3,(H,25,28)
InChIKeyQGIMIHUCLQVUBK-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.86
Rot. Bonds9

About 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide

1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide (PubChem CID 50831114) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
PubChem CID50831114
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)C1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C24H31N3O5S/c1-17-7-12-22(18(2)16-17)33(30,31)26-20-10-8-19(9-11-20)24(29)27-14-4-6-21(27)23(28)25-13-5-15-32-3/h7-12,16,21,26H,4-6,13-15H2,1-3H3,(H,25,28)
InChIKeyQGIMIHUCLQVUBK-UHFFFAOYSA-N
XLogP2.86
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-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

1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50816015
1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50830840
N-cyclopropyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830884
N-butyl-1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830822
N-butyl-1-[4-(methanesulfonamido)benzoyl]pyrrolidine-2-carboxamide
CID 50831051
(2R)-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 92730108
1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 50831005
(2R)-N-butyl-1-[3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728376
(2S)-N-butyl-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728373
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46388282
N-butyl-1-[4-[(4-chlorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50831007
(2S)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92730058

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide (CID 50831114) is 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide is COCCCNC(=O)C1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is QGIMIHUCLQVUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-17-7-12-22(18(2)16-17)33(30,31)26-20-10-8-19(9-11-20)24(29)27-14-4-6-21(27)23(28)25-13-5-15-32-3/h7-12,16,21,26H,4-6,13-15H2,1-3H3,(H,25,28).
What are the key properties of 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide?
1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 50831114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).