2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide

C15H20N2O3S — CID 94820198

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
SMILESCCc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(N)(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-2-12-7-8-13(10-14(12)21(16,19)20)17-15(18)9-11-5-3-4-6-11/h3,5,7-8,10-11H,2,4,6,9H2,1H3,(H,17,18)(H2,16,19,20)/t11-/m0/s1
InChIKeyRTXBYBARANBTIT-NSHDSACASA-N
MW308.40 g/mol
LogP2.19
Rot. Bonds5

About 2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide (PubChem CID 94820198) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
PubChem CID94820198
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
SMILESCCc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(N)(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-2-12-7-8-13(10-14(12)21(16,19)20)17-15(18)9-11-5-3-4-6-11/h3,5,7-8,10-11H,2,4,6,9H2,1H3,(H,17,18)(H2,16,19,20)/t11-/m0/s1
InChIKeyRTXBYBARANBTIT-NSHDSACASA-N
XLogP2.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
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-[3-(sulfamoylamino)phenyl]acetamide
CID 60728386
2-cyclopent-2-en-1-yl-N-(2-methyl-3-sulfamoylphenyl)acetamide
CID 47337033
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 86865204
3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride
CID 119307317
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 17491419
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 25374190
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9203754
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide
CID 78809324

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide (CID 94820198) is 2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide is CCc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(N)(=O)=O.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide?
The InChIKey is RTXBYBARANBTIT-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-12-7-8-13(10-14(12)21(16,19)20)17-15(18)9-11-5-3-4-6-11/h3,5,7-8,10-11H,2,4,6,9H2,1H3,(H,17,18)(H2,16,19,20)/t11-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide has a molecular weight of 308.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 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-(4-ethyl-3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 94820198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).