5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide

C16H17ClN2OS2 — CID 118216747

IUPAC5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide
SMILESCCSc1cc(Cl)cnc1C(=O)N(C)c1ccc(SC)cc1
InChIInChI=1S/C16H17ClN2OS2/c1-4-22-14-9-11(17)10-18-15(14)16(20)19(2)12-5-7-13(21-3)8-6-12/h5-10H,4H2,1-3H3
InChIKeyYJPWJSRYZRCZTN-UHFFFAOYSA-N
MW352.91 g/mol
LogP4.85
Rot. Bonds5

About 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide

5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide (PubChem CID 118216747) has the molecular formula C16H17ClN2OS2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide
PubChem CID118216747
Molecular FormulaC16H17ClN2OS2
Molecular Weight352.91 g/mol
Exact Mass352.05
IUPAC Name5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide
SMILESCCSc1cc(Cl)cnc1C(=O)N(C)c1ccc(SC)cc1
InChIInChI=1S/C16H17ClN2OS2/c1-4-22-14-9-11(17)10-18-15(14)16(20)19(2)12-5-7-13(21-3)8-6-12/h5-10H,4H2,1-3H3
InChIKeyYJPWJSRYZRCZTN-UHFFFAOYSA-N
XLogP4.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-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

Related Compounds

S-(4-chlorophenyl) pyridine-2-carbothioate
CID 901068
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
CID 23093763
N-(4-chlorophenyl)-3-sulfanyl-pyridine-2-carboxamide
CID 5274896
N-(3-chlorophenyl)-3-sulfanyl-pyridine-2-carboxamide
CID 5274897
(4-Chloro-1-methylpyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328737
(4-Chloro-1-methylpyrrol-2-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56819055
(3-((4-Chlorophenyl)sulfonyl)azetidin-1-yl)(pyridin-2-yl)methanone
CID 71809459
5-chloro-N-methyl-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
CID 71973123
Pxt-012253 C-11
CID 163203563
[(S)-7-(o-chlorophenyl)-1,4-thiazepan-4-yl](2-pyridyl)methanone
CID 99878528
5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 134793661
N-(4-methylsulfanylphenyl)pyridine-2-carboxamide
CID 9153414

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide (CID 118216747) is 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide is CCSc1cc(Cl)cnc1C(=O)N(C)c1ccc(SC)cc1.
What is the InChIKey of 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide?
The InChIKey is YJPWJSRYZRCZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS2/c1-4-22-14-9-11(17)10-18-15(14)16(20)19(2)12-5-7-13(21-3)8-6-12/h5-10H,4H2,1-3H3.
What are the key properties of 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide?
5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide has a molecular weight of 352.91 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethylsulfanyl-N-methyl-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 118216747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).