N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide

C14H13ClN2O2S — CID 692041

IUPACN-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O2S/c1-19-12-7-10(20-2)4-5-11(12)14(18)17-13-6-3-9(15)8-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyWOBUCQRIOOZVOY-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.72
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide

N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 692041) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID692041
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O2S/c1-19-12-7-10(20-2)4-5-11(12)14(18)17-13-6-3-9(15)8-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyWOBUCQRIOOZVOY-UHFFFAOYSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(methylsulfanyl)-N-(pyridin-2-yl)benzamide
CID 787499
N-benzyl-2-methoxy-4-(methylsulfanyl)-N-(pyridin-2-yl)benzamide
CID 1124076
2-methoxy-N-(6-methylpyridin-2-yl)-4-methylsulfanylbenzamide
CID 787495
1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-methoxyphenyl)ethyl]urea
CID 475282
N-(5-bromopyridin-2-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 1116764
2-methoxy-N-(2-pyridinyl)benzamide
CID 689500
2-methoxy-4-(methylthio)-N-pyridin-4-ylbenzamide
CID 842230
N-(5-chloropyridin-2-yl)-4-propoxybenzamide
CID 1794134
2-methoxy-N-(4-methyl-2-pyridinyl)-4-methylsulfanylbenzamide
CID 2162207
N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-(methylthio)benzamide
CID 2353143
N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
CID 2451367
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 2559556

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide (CID 692041) is N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is WOBUCQRIOOZVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-19-12-7-10(20-2)4-5-11(12)14(18)17-13-6-3-9(15)8-16-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 308.79 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 692041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).