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

C15H15ClN2OS — CID 2093485

IUPAC3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCc1ccncc1
InChIInChI=1S/C15H15ClN2OS/c16-13-1-3-14(4-2-13)20-10-7-15(19)18-11-12-5-8-17-9-6-12/h1-6,8-9H,7,10-11H2,(H,18,19)
InChIKeyHDOKQVRSLHPWJC-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.53
Rot. Bonds6

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

3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 2093485) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID2093485
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCc1ccncc1
InChIInChI=1S/C15H15ClN2OS/c16-13-1-3-14(4-2-13)20-10-7-15(19)18-11-12-5-8-17-9-6-12/h1-6,8-9H,7,10-11H2,(H,18,19)
InChIKeyHDOKQVRSLHPWJC-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide (CID 2093485) is 3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide is O=C(CCSc1ccc(Cl)cc1)NCc1ccncc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is HDOKQVRSLHPWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-1-3-14(4-2-13)20-10-7-15(19)18-11-12-5-8-17-9-6-12/h1-6,8-9H,7,10-11H2,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 306.82 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 2093485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).