2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide

C15H15ClN2O2S — CID 40713437

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CSCc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H15ClN2O2S/c1-20-15-6-5-13(8-17-15)18-14(19)10-21-9-11-3-2-4-12(16)7-11/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeySTPAJXXVIWEMLM-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.62
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 40713437) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID40713437
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CSCc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H15ClN2O2S/c1-20-15-6-5-13(8-17-15)18-14(19)10-21-9-11-3-2-4-12(16)7-11/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeySTPAJXXVIWEMLM-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859
N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 55532780
3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
CID 110620805
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542410
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 18269298
2-(3-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62499152
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 38016983

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide (CID 40713437) is 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)CSCc2cccc(Cl)c2)cn1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is STPAJXXVIWEMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-20-15-6-5-13(8-17-15)18-14(19)10-21-9-11-3-2-4-12(16)7-11/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 322.82 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 40713437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).