N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide

C10H13NO2S — CID 141064188

IUPACN-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide
SMILESO=C(CS)NCCc1ccccc1O
InChIInChI=1S/C10H13NO2S/c12-9-4-2-1-3-8(9)5-6-11-10(13)7-14/h1-4,12,14H,5-7H2,(H,11,13)
InChIKeyPLDQWMMOEWNRSV-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide

N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide (PubChem CID 141064188) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide
PubChem CID141064188
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide
SMILESO=C(CS)NCCc1ccccc1O
InChIInChI=1S/C10H13NO2S/c12-9-4-2-1-3-8(9)5-6-11-10(13)7-14/h1-4,12,14H,5-7H2,(H,11,13)
InChIKeyPLDQWMMOEWNRSV-UHFFFAOYSA-N
XLogP0.98
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 110614826
4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide
CID 110614901
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602
2-sulfanyl-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115167394
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide (CID 141064188) is N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide is O=C(CS)NCCc1ccccc1O.
What is the InChIKey of N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide?
The InChIKey is PLDQWMMOEWNRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-9-4-2-1-3-8(9)5-6-11-10(13)7-14/h1-4,12,14H,5-7H2,(H,11,13).
What are the key properties of N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide?
N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide has a molecular weight of 211.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide is sourced from PubChem (CID 141064188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).