N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide

C20H17ClN2OS — CID 60600017

IUPACN-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)Nc1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C20H17ClN2OS/c21-18-6-1-2-7-19(18)25-17-11-8-16(9-12-17)23-20(24)13-10-15-5-3-4-14-22-15/h1-9,11-12,14H,10,13H2,(H,23,24)
InChIKeyJXWPQJSAZSSJQO-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.46
Rot. Bonds6

About N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide

N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide (PubChem CID 60600017) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide
PubChem CID60600017
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC NameN-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)Nc1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C20H17ClN2OS/c21-18-6-1-2-7-19(18)25-17-11-8-16(9-12-17)23-20(24)13-10-15-5-3-4-14-22-15/h1-9,11-12,14H,10,13H2,(H,23,24)
InChIKeyJXWPQJSAZSSJQO-UHFFFAOYSA-N
XLogP5.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide (CID 60600017) is N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide is O=C(CCc1ccccn1)Nc1ccc(Sc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide?
The InChIKey is JXWPQJSAZSSJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-18-6-1-2-7-19(18)25-17-11-8-16(9-12-17)23-20(24)13-10-15-5-3-4-14-22-15/h1-9,11-12,14H,10,13H2,(H,23,24).
What are the key properties of N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide?
N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide has a molecular weight of 368.89 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)sulfanylphenyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 60600017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).