N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide

C14H13NO2S — CID 893908

IUPACN-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccccc1O
InChIInChI=1S/C14H13NO2S/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)
InChIKeyAYHKIEDCIUVEDU-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.12
Rot. Bonds4

About N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide

N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide (PubChem CID 893908) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
PubChem CID893908
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC NameN-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccccc1O
InChIInChI=1S/C14H13NO2S/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)
InChIKeyAYHKIEDCIUVEDU-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
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CID 15268776
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CID 7037418
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2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1322793
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CID 2993149
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
N-(2-hydroxyphenyl)-2-iodoacetamide
CID 66791865
N-(2-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide (CID 893908) is N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide?
The InChIKey is AYHKIEDCIUVEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17).
What are the key properties of N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide?
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide has a molecular weight of 259.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 893908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).