2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C20H20N2OS2 — CID 4830313

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)N(C)Cc2cccs2)c(C)c1
InChIInChI=1S/C20H20N2OS2/c1-14-8-9-18(15(2)12-14)25-19-17(7-4-10-21-19)20(23)22(3)13-16-6-5-11-24-16/h4-12H,13H2,1-3H3
InChIKeyFFDKOCUMYVMUKB-UHFFFAOYSA-N
MW368.53 g/mol
LogP5.18
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 4830313) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID4830313
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)N(C)Cc2cccs2)c(C)c1
InChIInChI=1S/C20H20N2OS2/c1-14-8-9-18(15(2)12-14)25-19-17(7-4-10-21-19)20(23)22(3)13-16-6-5-11-24-16/h4-12H,13H2,1-3H3
InChIKeyFFDKOCUMYVMUKB-UHFFFAOYSA-N
XLogP5.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-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 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 4830313) is 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)N(C)Cc2cccs2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is FFDKOCUMYVMUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-14-8-9-18(15(2)12-14)25-19-17(7-4-10-21-19)20(23)22(3)13-16-6-5-11-24-16/h4-12H,13H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4830313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).