6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide

C20H23ClN2OS — CID 58211637

IUPAC6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide
SMILESCc1cccc(SCc2cccc(C(=O)NC3CCCCC3)n2)c1Cl
InChIInChI=1S/C20H23ClN2OS/c1-14-7-5-12-18(19(14)21)25-13-16-10-6-11-17(22-16)20(24)23-15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,23,24)
InChIKeyNOCJEKNUMBGXMX-UHFFFAOYSA-N
MW374.94 g/mol
LogP5.40
Rot. Bonds5

About 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide

6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide (PubChem CID 58211637) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide
PubChem CID58211637
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide
SMILESCc1cccc(SCc2cccc(C(=O)NC3CCCCC3)n2)c1Cl
InChIInChI=1S/C20H23ClN2OS/c1-14-7-5-12-18(19(14)21)25-13-16-10-6-11-17(22-16)20(24)23-15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,23,24)
InChIKeyNOCJEKNUMBGXMX-UHFFFAOYSA-N
XLogP5.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.94
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide (CID 58211637) is 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide is Cc1cccc(SCc2cccc(C(=O)NC3CCCCC3)n2)c1Cl.
What is the InChIKey of 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is NOCJEKNUMBGXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c1-14-7-5-12-18(19(14)21)25-13-16-10-6-11-17(22-16)20(24)23-15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,23,24).
What are the key properties of 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide?
6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 374.94 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 58211637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).