N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide

C20H23N3O4S — CID 9158616

IUPACN-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-15-3-5-16(6-4-15)12-14-28(26,27)22-13-11-19(24)23-18-9-7-17(8-10-18)20(25)21-2/h3-10,12,14,22H,11,13H2,1-2H3,(H,21,25)(H,23,24)/b14-12+
InChIKeyJPWRINLURADNPP-WYMLVPIESA-N
MW401.49 g/mol
LogP2.27
Rot. Bonds8

About N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide

N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide (PubChem CID 9158616) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide
PubChem CID9158616
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-15-3-5-16(6-4-15)12-14-28(26,27)22-13-11-19(24)23-18-9-7-17(8-10-18)20(25)21-2/h3-10,12,14,22H,11,13H2,1-2H3,(H,21,25)(H,23,24)/b14-12+
InChIKeyJPWRINLURADNPP-WYMLVPIESA-N
XLogP2.27
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide 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-(4-methylanilino)-2-oxoethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate
CID 9066471
3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 7995029
N-(2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 7602988
N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 9164572
[2-(4-methylanilino)-2-oxoethyl] (E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoate
CID 38816941
N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 9273061
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 9270924
N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
CID 41296798
4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
CID 9164619
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate
CID 9066476
N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 34304081
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide?
The IUPAC name of N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide (CID 9158616) is N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide is CNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide?
The InChIKey is JPWRINLURADNPP-WYMLVPIESA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15-3-5-16(6-4-15)12-14-28(26,27)22-13-11-19(24)23-18-9-7-17(8-10-18)20(25)21-2/h3-10,12,14,22H,11,13H2,1-2H3,(H,21,25)(H,23,24)/b14-12+.
What are the key properties of N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide?
N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 9158616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).