(2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide

C13H17NO3S — CID 97249147

IUPAC(2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide
SMILESC=CCS(=O)(=O)NC(=O)[C@@H](CC)c1ccccc1
InChIInChI=1S/C13H17NO3S/c1-3-10-18(16,17)14-13(15)12(4-2)11-8-6-5-7-9-11/h3,5-9,12H,1,4,10H2,2H3,(H,14,15)/t12-/m0/s1
InChIKeyUZHVSCSTRMSGOY-LBPRGKRZSA-N
MW267.35 g/mol
LogP1.81
Rot. Bonds6

About (2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide

(2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide (PubChem CID 97249147) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide
PubChem CID97249147
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide
SMILESC=CCS(=O)(=O)NC(=O)[C@@H](CC)c1ccccc1
InChIInChI=1S/C13H17NO3S/c1-3-10-18(16,17)14-13(15)12(4-2)11-8-6-5-7-9-11/h3,5-9,12H,1,4,10H2,2H3,(H,14,15)/t12-/m0/s1
InChIKeyUZHVSCSTRMSGOY-LBPRGKRZSA-N
XLogP1.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-methylsulfonyl-2-phenylbutanamide
CID 94188019
N-[(4-methylphenyl)methylsulfonyl]-2-phenylbutanamide
CID 130327231
N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide
CID 142953388
(2-phenylbutanoylamino)urea
CID 63946462
ethenyl 2-phenylbutanoate
CID 10932238
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2S)-N-ethoxy-2-phenylbutanamide
CID 94018307
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
(2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid
CID 67038648
6-methylidene-3-phenyloctan-4-one
CID 115781087
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide?
The IUPAC name of (2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide (CID 97249147) is (2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide.
What is the SMILES notation for (2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide?
The canonical SMILES for (2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide is C=CCS(=O)(=O)NC(=O)[C@@H](CC)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide?
The InChIKey is UZHVSCSTRMSGOY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-10-18(16,17)14-13(15)12(4-2)11-8-6-5-7-9-11/h3,5-9,12H,1,4,10H2,2H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide?
(2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide has a molecular weight of 267.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide is sourced from PubChem (CID 97249147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).