N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide

C20H17ClN2OS — CID 980324

IUPACN-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C20H17ClN2OS/c1-14-5-10-17(21)12-18(14)23-20(24)16-8-6-15(7-9-16)13-25-19-4-2-3-11-22-19/h2-12H,13H2,1H3,(H,23,24)
InChIKeyVZPYQHUTLFACGL-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.59
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide

N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide (PubChem CID 980324) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
PubChem CID980324
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C20H17ClN2OS/c1-14-5-10-17(21)12-18(14)23-20(24)16-8-6-15(7-9-16)13-25-19-4-2-3-11-22-19/h2-12H,13H2,1H3,(H,23,24)
InChIKeyVZPYQHUTLFACGL-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-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131940335
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 22070190
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098179
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 124539918
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
N-(5-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042675

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide (CID 980324) is N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccccn2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The InChIKey is VZPYQHUTLFACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c1-14-5-10-17(21)12-18(14)23-20(24)16-8-6-15(7-9-16)13-25-19-4-2-3-11-22-19/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide?
N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)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-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 980324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).