2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

C24H27N3O2S — CID 86942896

IUPAC2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
SMILESO=C(CN(CCO)CCc1ccccc1)Nc1cccc(CSc2ccccn2)c1
InChIInChI=1S/C24H27N3O2S/c28-16-15-27(14-12-20-7-2-1-3-8-20)18-23(29)26-22-10-6-9-21(17-22)19-30-24-11-4-5-13-25-24/h1-11,13,17,28H,12,14-16,18-19H2,(H,26,29)
InChIKeyLPACTEYUPLFHOL-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.85
Rot. Bonds11

About 2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide (PubChem CID 86942896) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
PubChem CID86942896
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
SMILESO=C(CN(CCO)CCc1ccccc1)Nc1cccc(CSc2ccccn2)c1
InChIInChI=1S/C24H27N3O2S/c28-16-15-27(14-12-20-7-2-1-3-8-20)18-23(29)26-22-10-6-9-21(17-22)19-30-24-11-4-5-13-25-24/h1-11,13,17,28H,12,14-16,18-19H2,(H,26,29)
InChIKeyLPACTEYUPLFHOL-UHFFFAOYSA-N
XLogP3.85
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
CID 47002665
2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 52803481
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide
CID 56554759
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 60608009
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554634
2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 86942994
1-[1-(2-chlorophenyl)ethyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554405
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120872517
3-[[3-(pyridin-2-ylsulfanylmethyl)anilino]methyl]benzamide
CID 71913452
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 56577093
2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide
CID 62114945

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide (CID 86942896) is 2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide is O=C(CN(CCO)CCc1ccccc1)Nc1cccc(CSc2ccccn2)c1.
What is the InChIKey of 2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The InChIKey is LPACTEYUPLFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c28-16-15-27(14-12-20-7-2-1-3-8-20)18-23(29)26-22-10-6-9-21(17-22)19-30-24-11-4-5-13-25-24/h1-11,13,17,28H,12,14-16,18-19H2,(H,26,29).
What are the key properties of 2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide has a molecular weight of 421.57 g/mol, XLogP of 3.85, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 86942896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).