N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide

C20H17ClN2OS — CID 10021972

IUPACN-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2SCc2ccncc2)ccc1Cl
InChIInChI=1S/C20H17ClN2OS/c1-14-12-16(6-7-18(14)21)23-20(24)17-4-2-3-5-19(17)25-13-15-8-10-22-11-9-15/h2-12H,13H2,1H3,(H,23,24)
InChIKeyKZHDSXSROOHUST-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.59
Rot. Bonds5

About N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide

N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide (PubChem CID 10021972) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
PubChem CID10021972
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC NameN-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2SCc2ccncc2)ccc1Cl
InChIInChI=1S/C20H17ClN2OS/c1-14-12-16(6-7-18(14)21)23-20(24)17-4-2-3-5-19(17)25-13-15-8-10-22-11-9-15/h2-12H,13H2,1H3,(H,23,24)
InChIKeyKZHDSXSROOHUST-UHFFFAOYSA-N
XLogP5.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23094003
N-(3-bromophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 23093858
2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
CID 23093954
ethyl 4-[(2-benzylsulfanylbenzoyl)amino]-2-chlorobenzoate
CID 28566816
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561
N-isoquinolin-3-yl-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10090622
N-(3-chloro-4-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23093841
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide
CID 11428473
N-(4-amino-3,5-dichlorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55522562
2-(cyanomethylsulfanyl)-N-(3,4-dichlorophenyl)benzamide
CID 36677970

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide (CID 10021972) is N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide is Cc1cc(NC(=O)c2ccccc2SCc2ccncc2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide?
The InChIKey is KZHDSXSROOHUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c1-14-12-16(6-7-18(14)21)23-20(24)17-4-2-3-5-19(17)25-13-15-8-10-22-11-9-15/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide?
N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide has a molecular weight of 368.89 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 10021972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).