N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide

C17H18N2O3S — CID 57096689

IUPACN-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18N2O3S/c1-3-17(20)18-12-14-6-4-5-7-16(14)19-23(21,22)15-10-8-13(2)9-11-15/h3-11,19H,1,12H2,2H3,(H,18,20)
InChIKeyRRFAYTNWEWAFEH-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.60
Rot. Bonds6

About N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide

N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide (PubChem CID 57096689) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
PubChem CID57096689
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18N2O3S/c1-3-17(20)18-12-14-6-4-5-7-16(14)19-23(21,22)15-10-8-13(2)9-11-15/h3-11,19H,1,12H2,2H3,(H,18,20)
InChIKeyRRFAYTNWEWAFEH-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide 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

N-[[4-[(4-methylphenyl)sulfamoyl]phenyl]methyl]prop-2-enamide
CID 57217486
1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea
CID 68950031
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
2-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 11749023
N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide
CID 11718265
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
2-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 18668318
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 100558623
N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide
CID 2175745
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide (CID 57096689) is N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide?
The InChIKey is RRFAYTNWEWAFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-17(20)18-12-14-6-4-5-7-16(14)19-23(21,22)15-10-8-13(2)9-11-15/h3-11,19H,1,12H2,2H3,(H,18,20).
What are the key properties of N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide?
N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide has a molecular weight of 330.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 57096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).