1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide

C24H28N2O4S — CID 167910630

IUPAC1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C24H28N2O4S/c1-24(16-7-17-26(24)22(27)18-8-3-2-4-9-18)23(28)25-19-12-14-21(15-13-19)31(29,30)20-10-5-6-11-20/h2-4,8-9,12-15,20H,5-7,10-11,16-17H2,1H3,(H,25,28)
InChIKeyMNZPBOHYLAWKDG-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.04
Rot. Bonds5

About 1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide

1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 167910630) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID167910630
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C24H28N2O4S/c1-24(16-7-17-26(24)22(27)18-8-3-2-4-9-18)23(28)25-19-12-14-21(15-13-19)31(29,30)20-10-5-6-11-20/h2-4,8-9,12-15,20H,5-7,10-11,16-17H2,1H3,(H,25,28)
InChIKeyMNZPBOHYLAWKDG-UHFFFAOYSA-N
XLogP4.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 154780029
3-[4-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120540910
N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119616462
N-(1,3-benzodioxol-5-yl)-1-benzoyl-2-methylazetidine-2-carboxamide
CID 46948137
N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119407893
[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 119412358
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895
6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 75383687
N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide
CID 42957046
4-cycloheptylsulfonylbenzoic acid
CID 82925823
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666
(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561781

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide (CID 167910630) is 1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is MNZPBOHYLAWKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-24(16-7-17-26(24)22(27)18-8-3-2-4-9-18)23(28)25-19-12-14-21(15-13-19)31(29,30)20-10-5-6-11-20/h2-4,8-9,12-15,20H,5-7,10-11,16-17H2,1H3,(H,25,28).
What are the key properties of 1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide?
1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 167910630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).