(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

C15H18N2O4S — CID 27260603

IUPAC(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C15H18N2O4S/c1-10-2-6-12(7-3-10)22(20,21)17-13(8-9-14(17)18)15(19)16-11-4-5-11/h2-3,6-7,11,13H,4-5,8-9H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyATJZGPNRWZNKAZ-CYBMUJFWSA-N
MW322.39 g/mol
LogP0.95
Rot. Bonds4

About (2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 27260603) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
PubChem CID27260603
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C15H18N2O4S/c1-10-2-6-12(7-3-10)22(20,21)17-13(8-9-14(17)18)15(19)16-11-4-5-11/h2-3,6-7,11,13H,4-5,8-9H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyATJZGPNRWZNKAZ-CYBMUJFWSA-N
XLogP0.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
CID 53008162
(2S)-N-cyclooctyl-1-(3,4-dimethylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 95074305
1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide
CID 110387732
3-methyl-2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
CID 11349564
(2R)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92850386
(2R)-N-(3,4-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 1294852
(2R)-N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92712425
N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387755
2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate
CID 6987638
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 1093265
(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 93072342
(2R)-N-methyl-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 93059318

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (CID 27260603) is (2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC2CC2)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ATJZGPNRWZNKAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-2-6-12(7-3-10)22(20,21)17-13(8-9-14(17)18)15(19)16-11-4-5-11/h2-3,6-7,11,13H,4-5,8-9H2,1H3,(H,16,19)/t13-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 27260603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).