(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C19H22N2O3S — CID 25365977

IUPAC(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2)c1
InChIInChI=1S/C19H22N2O3S/c1-14-6-3-7-15(12-14)16-8-4-9-17(13-16)20-19(22)18-10-5-11-21(18)25(2,23)24/h3-4,6-9,12-13,18H,5,10-11H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyABPHVHYOMHIIQE-SFHVURJKSA-N
MW358.46 g/mol
LogP3.02
Rot. Bonds4

About (2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide

(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 25365977) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID25365977
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2)c1
InChIInChI=1S/C19H22N2O3S/c1-14-6-3-7-15(12-14)16-8-4-9-17(13-16)20-19(22)18-10-5-11-21(18)25(2,23)24/h3-4,6-9,12-13,18H,5,10-11H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyABPHVHYOMHIIQE-SFHVURJKSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 46419731
(2S)-N-(3,5-dimethylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 40853891
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 47086715
(2R)-N-[3-(3-methylphenyl)phenyl]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 42461345
N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429298
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 41181462
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 20862294
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42515252
1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15944827

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 25365977) is (2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2)c1.
What is the InChIKey of (2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is ABPHVHYOMHIIQE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-6-3-7-15(12-14)16-8-4-9-17(13-16)20-19(22)18-10-5-11-21(18)25(2,23)24/h3-4,6-9,12-13,18H,5,10-11H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 25365977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).