N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide

C15H16N2O2S — CID 61221777

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)Nc1ccc(CCO)cc1
InChIInChI=1S/C15H16N2O2S/c18-10-7-12-1-3-13(4-2-12)17-15(19)11-20-14-5-8-16-9-6-14/h1-6,8-9,18H,7,10-11H2,(H,17,19)
InChIKeyVHYVBHFCRMDGHQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.35
Rot. Bonds6

About N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide

N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 61221777) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID61221777
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)Nc1ccc(CCO)cc1
InChIInChI=1S/C15H16N2O2S/c18-10-7-12-1-3-13(4-2-12)17-15(19)11-20-14-5-8-16-9-6-14/h1-6,8-9,18H,7,10-11H2,(H,17,19)
InChIKeyVHYVBHFCRMDGHQ-UHFFFAOYSA-N
XLogP2.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 64792989
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61222140
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 5199579
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 25386787
5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid
CID 63153996
N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide
CID 100724139
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide
CID 61236630

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide (CID 61221777) is N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)Nc1ccc(CCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is VHYVBHFCRMDGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-10-7-12-1-3-13(4-2-12)17-15(19)11-20-14-5-8-16-9-6-14/h1-6,8-9,18H,7,10-11H2,(H,17,19).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 288.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 61221777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).