N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide

C19H22N2O3S — CID 135020356

IUPACN-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide
SMILESCC(=O)N(NC(C)/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-9-13-19(14-10-15)25(23,24)21(17(3)22)20-16(2)11-12-18-7-5-4-6-8-18/h4-14,16,20H,1-3H3/b12-11+
InChIKeyASSVISKGJZEFPG-VAWYXSNFSA-N
MW358.46 g/mol
LogP3.14
Rot. Bonds6

About N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide

N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide (PubChem CID 135020356) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide
PubChem CID135020356
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide
SMILESCC(=O)N(NC(C)/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-9-13-19(14-10-15)25(23,24)21(17(3)22)20-16(2)11-12-18-7-5-4-6-8-18/h4-14,16,20H,1-3H3/b12-11+
InChIKeyASSVISKGJZEFPG-VAWYXSNFSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide 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

(E,3S)-3-[(4-methylphenyl)sulfonylamino]-5-phenylpent-4-enoic acid
CID 101455223
4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide
CID 11152440
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 155490363
tert-butyl N-(4-methylphenyl)sulfonyl-N-(propan-2-ylamino)carbamate
CID 15455853
N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide
CID 102344906
[(E)-2-phenylethenyl] 4-methylbenzenesulfonate
CID 42643365
1-methyl-4-[(Z)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]sulfonylbenzene
CID 100923020
4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide
CID 102233869
N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 122208299
N-[(E)-1-hydroxy-2-methyl-3-phenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 135033918
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
3-(N-(4-methylphenyl)sulfonyl-2-propan-2-ylanilino)propanoic acid
CID 50893700

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide (CID 135020356) is N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide is CC(=O)N(NC(C)/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide?
The InChIKey is ASSVISKGJZEFPG-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-9-13-19(14-10-15)25(23,24)21(17(3)22)20-16(2)11-12-18-7-5-4-6-8-18/h4-14,16,20H,1-3H3/b12-11+.
What are the key properties of N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide?
N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide has a molecular weight of 358.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N'-[(E)-4-phenylbut-3-en-2-yl]acetohydrazide is sourced from PubChem (CID 135020356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).