1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide

C16H24N2O3S — CID 51240572

IUPAC1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-13(10-11-14-7-4-3-5-8-14)17-16(19)15-9-6-12-18(15)22(2,20)21/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,19)
InChIKeyCLWXUGPGOWMJEP-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.55
Rot. Bonds6

About 1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide

1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 51240572) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID51240572
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-13(10-11-14-7-4-3-5-8-14)17-16(19)15-9-6-12-18(15)22(2,20)21/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,19)
InChIKeyCLWXUGPGOWMJEP-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
(2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 94033051
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
(2R)-N-[(2R)-1-methoxypropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95129913
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 134050674
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418
(2R)-4-methylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 92672826

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide (CID 51240572) is 1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide is CC(CCc1ccccc1)NC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CLWXUGPGOWMJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13(10-11-14-7-4-3-5-8-14)17-16(19)15-9-6-12-18(15)22(2,20)21/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,19).
What are the key properties of 1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide?
1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51240572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).