(2R)-N-methylsulfonyl-2-phenylbutanamide

C11H15NO3S — CID 94188019

IUPAC(2R)-N-methylsulfonyl-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-3-10(9-7-5-4-6-8-9)11(13)12-16(2,14)15/h4-8,10H,3H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyOWUKSGODNLYAFR-SNVBAGLBSA-N
MW241.31 g/mol
LogP1.26
Rot. Bonds4

About (2R)-N-methylsulfonyl-2-phenylbutanamide

(2R)-N-methylsulfonyl-2-phenylbutanamide (PubChem CID 94188019) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (2R)-N-methylsulfonyl-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-methylsulfonyl-2-phenylbutanamide
PubChem CID94188019
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(2R)-N-methylsulfonyl-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-3-10(9-7-5-4-6-8-9)11(13)12-16(2,14)15/h4-8,10H,3H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyOWUKSGODNLYAFR-SNVBAGLBSA-N
XLogP1.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide
CID 97249147
N-[(4-methylphenyl)methylsulfonyl]-2-phenylbutanamide
CID 130327231
(2-phenylbutanoylamino)urea
CID 63946462
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2S)-N-ethoxy-2-phenylbutanamide
CID 94018307
2-(6-methoxynaphthalen-2-yl)-N-methylsulfonylbutanamide
CID 129056877
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
(2R)-2-phenylbutanamide
CID 139147476
2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 17147291

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methylsulfonyl-2-phenylbutanamide?
The IUPAC name of (2R)-N-methylsulfonyl-2-phenylbutanamide (CID 94188019) is (2R)-N-methylsulfonyl-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-methylsulfonyl-2-phenylbutanamide?
The canonical SMILES for (2R)-N-methylsulfonyl-2-phenylbutanamide is CC[C@@H](C(=O)NS(C)(=O)=O)c1ccccc1.
What is the InChIKey of (2R)-N-methylsulfonyl-2-phenylbutanamide?
The InChIKey is OWUKSGODNLYAFR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-10(9-7-5-4-6-8-9)11(13)12-16(2,14)15/h4-8,10H,3H2,1-2H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (2R)-N-methylsulfonyl-2-phenylbutanamide?
(2R)-N-methylsulfonyl-2-phenylbutanamide has a molecular weight of 241.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methylsulfonyl-2-phenylbutanamide is sourced from PubChem (CID 94188019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).