N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C14H19N3O4S — CID 18093594

IUPACN-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O4S/c1-15-13(18)10-5-7-11(8-6-10)16-14(19)12-4-3-9-17(12)22(2,20)21/h5-8,12H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeySMWVAFQMIXTMBK-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.41
Rot. Bonds4

About N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 18093594) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID18093594
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O4S/c1-15-13(18)10-5-7-11(8-6-10)16-14(19)12-4-3-9-17(12)22(2,20)21/h5-8,12H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeySMWVAFQMIXTMBK-UHFFFAOYSA-N
XLogP0.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
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
1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 60546086
(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
(2S)-N-[4-chloro-3-(ethylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 131893969
1-methylsulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 46419731

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 18093594) is N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C2CCCN2S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is SMWVAFQMIXTMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-15-13(18)10-5-7-11(8-6-10)16-14(19)12-4-3-9-17(12)22(2,20)21/h5-8,12H,3-4,9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18093594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).