2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

C15H15ClN2OS — CID 2898962

IUPAC2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C15H15ClN2OS/c1-11(20-14-6-4-13(16)5-7-14)15(19)18-10-12-3-2-8-17-9-12/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyVWWVWXNKSWKQSU-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 2898962) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID2898962
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C15H15ClN2OS/c1-11(20-14-6-4-13(16)5-7-14)15(19)18-10-12-3-2-8-17-9-12/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyVWWVWXNKSWKQSU-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide (CID 2898962) is 2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is VWWVWXNKSWKQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-11(20-14-6-4-13(16)5-7-14)15(19)18-10-12-3-2-8-17-9-12/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 306.82 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 2898962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).