2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide

C17H24N2O3S — CID 9203754

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-3-19(4-2)23(21,22)16-11-9-15(10-12-16)18-17(20)13-14-7-5-6-8-14/h5,7,9-12,14H,3-4,6,8,13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyXYANHAGJYDFWOV-AWEZNQCLSA-N
MW336.46 g/mol
LogP3.01
Rot. Bonds7

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 9203754) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
PubChem CID9203754
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-3-19(4-2)23(21,22)16-11-9-15(10-12-16)18-17(20)13-14-7-5-6-8-14/h5,7,9-12,14H,3-4,6,8,13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyXYANHAGJYDFWOV-AWEZNQCLSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.01
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-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
CID 31011027
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065487
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21175312
2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46820855
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065712
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
CID 94820198
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 8901828
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
CID 31011292
2-[cyclopropyl-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]amino]propanoic acid
CID 122100893
trans-(1R,2R)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 2112181

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide (CID 9203754) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is XYANHAGJYDFWOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-19(4-2)23(21,22)16-11-9-15(10-12-16)18-17(20)13-14-7-5-6-8-14/h5,7,9-12,14H,3-4,6,8,13H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 3.01, 7 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-[4-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9203754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).