N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide

C21H18ClNOS — CID 2284612

IUPACN-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H18ClNOS/c1-15-7-12-18(13-20(15)22)23-21(24)17-10-8-16(9-11-17)14-25-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,23,24)
InChIKeyLWITWEWVBJDREY-UHFFFAOYSA-N
MW367.90 g/mol
LogP6.19
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide

N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide (PubChem CID 2284612) has the molecular formula C21H18ClNOS and a molecular weight of 367.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
PubChem CID2284612
Molecular FormulaC21H18ClNOS
Molecular Weight367.90 g/mol
Exact Mass367.08
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H18ClNOS/c1-15-7-12-18(13-20(15)22)23-21(24)17-10-8-16(9-11-17)14-25-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,23,24)
InChIKeyLWITWEWVBJDREY-UHFFFAOYSA-N
XLogP6.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.90
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)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

N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
CID 2526021
4-methyl-3-nitro-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 1333319
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide
CID 112845769
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28567614
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 126129121
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide (CID 2284612) is N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is LWITWEWVBJDREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNOS/c1-15-7-12-18(13-20(15)22)23-21(24)17-10-8-16(9-11-17)14-25-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide?
N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 367.90 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 2284612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).