N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide

C14H18N2O3S — CID 135041692

IUPACN'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide
SMILESCC(=O)N(NC1C=CCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O3S/c1-11-7-9-14(10-8-11)20(18,19)16(12(2)17)15-13-5-3-4-6-13/h3,5,7-10,13,15H,4,6H2,1-2H3
InChIKeyNDWGYGWULRTGNJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.76
Rot. Bonds4

About N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide

N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide (PubChem CID 135041692) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide
PubChem CID135041692
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide
SMILESCC(=O)N(NC1C=CCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O3S/c1-11-7-9-14(10-8-11)20(18,19)16(12(2)17)15-13-5-3-4-6-13/h3,5,7-10,13,15H,4,6H2,1-2H3
InChIKeyNDWGYGWULRTGNJ-UHFFFAOYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide
CID 11183983
N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 71084250
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide
CID 135020356
N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26643906
2-cyclopent-2-en-1-yl-N-hydroxy-N-[2-(4-methylphenyl)sulfonylethyl]acetamide
CID 11359200
N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
CID 11077613
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9203754
4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide
CID 102235339
methyl 1-(4-methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate
CID 101422096
(2S)-3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid
CID 14236032
N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 15529725

Frequently Asked Questions

What is the IUPAC name of N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide (CID 135041692) is N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide is CC(=O)N(NC1C=CCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide?
The InChIKey is NDWGYGWULRTGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-7-9-14(10-8-11)20(18,19)16(12(2)17)15-13-5-3-4-6-13/h3,5,7-10,13,15H,4,6H2,1-2H3.
What are the key properties of N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide?
N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide has a molecular weight of 294.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 135041692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).