2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide

C14H17NO3S — CID 51929140

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C14H17NO3S/c1-19(17,18)13-9-5-4-8-12(13)15-14(16)10-11-6-2-3-7-11/h2,4-6,8-9,11H,3,7,10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyCHKXXNOYOYLSFW-NSHDSACASA-N
MW279.36 g/mol
LogP2.38
Rot. Bonds4

About 2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 51929140) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
PubChem CID51929140
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C14H17NO3S/c1-19(17,18)13-9-5-4-8-12(13)15-14(16)10-11-6-2-3-7-11/h2,4-6,8-9,11H,3,7,10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyCHKXXNOYOYLSFW-NSHDSACASA-N
XLogP2.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.38
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

2-cyclopent-2-en-1-yl-N-(2-methyl-3-sulfamoylphenyl)acetamide
CID 47337033
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide
CID 86901395
2-cyclopent-2-en-1-yl-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43600979
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 46403346
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 30900728
2-[(1S)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813097
2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813098
2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 78807815
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]hexa-2,4-dienamide
CID 72688727
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
CID 103479839
2-cyclopent-2-en-1-yl-N-[2-(2,3-dihydroindol-1-yl)phenyl]acetamide
CID 43066797

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide (CID 51929140) is 2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccccc1NC(=O)C[C@H]1C=CCC1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is CHKXXNOYOYLSFW-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO3S/c1-19(17,18)13-9-5-4-8-12(13)15-14(16)10-11-6-2-3-7-11/h2,4-6,8-9,11H,3,7,10H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 51929140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).