2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide

C16H21NO4S — CID 11359200

IUPAC2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)CCN(O)C(=O)CC2C=CCC2)cc1
InChIInChI=1S/C16H21NO4S/c1-13-6-8-15(9-7-13)22(20,21)11-10-17(19)16(18)12-14-4-2-3-5-14/h2,4,6-9,14,19H,3,5,10-12H2,1H3
InChIKeyJTPPORWCSRUMIX-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.34
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide

2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide (PubChem CID 11359200) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide
PubChem CID11359200
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Name2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)CCN(O)C(=O)CC2C=CCC2)cc1
InChIInChI=1S/C16H21NO4S/c1-13-6-8-15(9-7-13)22(20,21)11-10-17(19)16(18)12-14-4-2-3-5-14/h2,4,6-9,14,19H,3,5,10-12H2,1H3
InChIKeyJTPPORWCSRUMIX-UHFFFAOYSA-N
XLogP2.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9368511
2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870198
[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065789
3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 55592271
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9203754
2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide
CID 17309433
N-(2-cyanoethyl)-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 60707481
2-(4-methylphenyl)sulfonylethanesulfonic acid
CID 21412922
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 8999622
N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide
CID 135041692
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide (CID 11359200) is 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide is Cc1ccc(S(=O)(=O)CCN(O)C(=O)CC2C=CCC2)cc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide?
The InChIKey is JTPPORWCSRUMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-13-6-8-15(9-7-13)22(20,21)11-10-17(19)16(18)12-14-4-2-3-5-14/h2,4,6-9,14,19H,3,5,10-12H2,1H3.
What are the key properties of 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide?
2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide has a molecular weight of 323.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide is sourced from PubChem (CID 11359200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).