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

C16H16ClNOS — CID 2526021

IUPACN-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClNOS/c1-11-3-8-14(9-15(11)17)18-16(19)13-6-4-12(5-7-13)10-20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyGNNXKIBJTUFYPV-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.76
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 2526021) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
PubChem CID2526021
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClNOS/c1-11-3-8-14(9-15(11)17)18-16(19)13-6-4-12(5-7-13)10-20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyGNNXKIBJTUFYPV-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2284612
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043760
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 46518330

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide (CID 2526021) is N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is GNNXKIBJTUFYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-11-3-8-14(9-15(11)17)18-16(19)13-6-4-12(5-7-13)10-20-2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide?
N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 305.83 g/mol, XLogP of 4.76, 4 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-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 2526021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).