(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C14H18N2O4S — CID 27444312

IUPAC(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C14H18N2O4S/c1-10(17)11-5-7-12(8-6-11)15-14(18)13-4-3-9-16(13)21(2,19)20/h5-8,13H,3-4,9H2,1-2H3,(H,15,18)/t13-/m1/s1
InChIKeyGBVLDMZCFODZGE-CYBMUJFWSA-N
MW310.38 g/mol
LogP1.25
Rot. Bonds4

About (2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 27444312) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID27444312
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C14H18N2O4S/c1-10(17)11-5-7-12(8-6-11)15-14(18)13-4-3-9-16(13)21(2,19)20/h5-8,13H,3-4,9H2,1-2H3,(H,15,18)/t13-/m1/s1
InChIKeyGBVLDMZCFODZGE-CYBMUJFWSA-N
XLogP1.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093594
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484
N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418
N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429298
1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 17412915
(2S)-N-(3,5-dimethylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 40853891
methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754583
(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39898332
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429567
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55564355
1-(4-acetylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-2-carboxamide
CID 55359494
1-(4-acetylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-2-carboxamide
CID 55333838

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 27444312) is (2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide is CC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is GBVLDMZCFODZGE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10(17)11-5-7-12(8-6-11)15-14(18)13-4-3-9-16(13)21(2,19)20/h5-8,13H,3-4,9H2,1-2H3,(H,15,18)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 27444312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).