N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide

C12H14N2O4S — CID 110793299

IUPACN-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C2CCC(=O)N2)c1
InChIInChI=1S/C12H14N2O4S/c1-19(17,18)9-4-2-3-8(7-9)13-12(16)10-5-6-11(15)14-10/h2-4,7,10H,5-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyNLQQEOLFFFKQFZ-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.31
Rot. Bonds3

About N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide

N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110793299) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110793299
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC NameN-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)C2CCC(=O)N2)c1
InChIInChI=1S/C12H14N2O4S/c1-19(17,18)9-4-2-3-8(7-9)13-12(16)10-5-6-11(15)14-10/h2-4,7,10H,5-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyNLQQEOLFFFKQFZ-UHFFFAOYSA-N
XLogP0.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 8008010
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119438155
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110462157
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110689746
3-[3-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 76907392
(2S)-N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 46997763

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110793299) is N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide is CS(=O)(=O)c1cccc(NC(=O)C2CCC(=O)N2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NLQQEOLFFFKQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-19(17,18)9-4-2-3-8(7-9)13-12(16)10-5-6-11(15)14-10/h2-4,7,10H,5-6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110793299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).