2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide

C15H15ClN2OS — CID 47002665

IUPAC2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1cccc(CSc2ccccn2)c1
InChIInChI=1S/C15H15ClN2OS/c1-11(16)15(19)18-13-6-4-5-12(9-13)10-20-14-7-2-3-8-17-14/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyFFNUPVVYLPSZCS-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.94
Rot. Bonds5

About 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide

2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide (PubChem CID 47002665) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
PubChem CID47002665
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1cccc(CSc2ccccn2)c1
InChIInChI=1S/C15H15ClN2OS/c1-11(16)15(19)18-13-6-4-5-12(9-13)10-20-14-7-2-3-8-17-14/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyFFNUPVVYLPSZCS-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554405
2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 52803481
1-[(3-propan-2-yloxyphenyl)methyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554852
[1-oxo-1-[3-(pyridin-2-ylsulfanylmethyl)anilino]propan-2-yl] 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 167757002
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
CID 47091088
2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 86942896
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 56577093
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554700
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide
CID 56554759
3-[[3-(pyridin-2-ylsulfanylmethyl)anilino]methyl]benzamide
CID 71913452
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554669
1-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56566322

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide (CID 47002665) is 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide is CC(Cl)C(=O)Nc1cccc(CSc2ccccn2)c1.
What is the InChIKey of 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide?
The InChIKey is FFNUPVVYLPSZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-11(16)15(19)18-13-6-4-5-12(9-13)10-20-14-7-2-3-8-17-14/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide?
2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide has a molecular weight of 306.82 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide is sourced from PubChem (CID 47002665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).