N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide

C22H19NO3S — CID 6304047

IUPACN-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-17-12-14-19(15-13-17)22(24)23-21(16-18-8-4-2-5-9-18)27(25,26)20-10-6-3-7-11-20/h2-16H,1H3,(H,23,24)/b21-16+
InChIKeyDMVKHVUNBZBQER-LTGZKZEYSA-N
MW377.47 g/mol
LogP4.20
Rot. Bonds5

About N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide

N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide (PubChem CID 6304047) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide
PubChem CID6304047
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC NameN-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-17-12-14-19(15-13-17)22(24)23-21(16-18-8-4-2-5-9-18)27(25,26)20-10-6-3-7-11-20/h2-16H,1H3,(H,23,24)/b21-16+
InChIKeyDMVKHVUNBZBQER-LTGZKZEYSA-N
XLogP4.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide 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-[(E)-2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
CID 2134372
4-methyl-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6060583
N-[(E)-2-(benzenesulfonyl)-2-chloro-1-cyanoethenyl]-4-methylbenzamide
CID 134920938
N-[(Z)-3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2186045
1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene
CID 819514
4-methyl-N-[2-phenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide
CID 2874743
(4-methylbenzoyl)carbamic acid
CID 89120559
N-[(Z)-2-[4-[(E)-2-formamido-2-(4-methylphenyl)sulfonylethenyl]phenyl]-1-(4-methylphenyl)sulfonylethenyl]formamide
CID 6265496
N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2252632
4-methyl-N-[(E)-3-(2-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6147985
N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 4553025
1-methyl-4-[(Z)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]sulfonylbenzene
CID 100923020

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide?
The IUPAC name of N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide (CID 6304047) is N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide?
The canonical SMILES for N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide is Cc1ccc(C(=O)N/C(=C\c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide?
The InChIKey is DMVKHVUNBZBQER-LTGZKZEYSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-17-12-14-19(15-13-17)22(24)23-21(16-18-8-4-2-5-9-18)27(25,26)20-10-6-3-7-11-20/h2-16H,1H3,(H,23,24)/b21-16+.
What are the key properties of N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide?
N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide has a molecular weight of 377.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide is sourced from PubChem (CID 6304047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).