N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide

C10H13NO2S — CID 141064187

IUPACN-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
SMILESO=C(CS)NCCc1cccc(O)c1
InChIInChI=1S/C10H13NO2S/c12-9-3-1-2-8(6-9)4-5-11-10(13)7-14/h1-3,6,12,14H,4-5,7H2,(H,11,13)
InChIKeyUSMFNUILBDVICF-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide

N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide (PubChem CID 141064187) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
PubChem CID141064187
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
SMILESO=C(CS)NCCc1cccc(O)c1
InChIInChI=1S/C10H13NO2S/c12-9-3-1-2-8(6-9)4-5-11-10(13)7-14/h1-3,6,12,14H,4-5,7H2,(H,11,13)
InChIKeyUSMFNUILBDVICF-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-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954
N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064188
2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 51098959
2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 122149946
ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate
CID 110481887
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 110483661
N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110483053
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
CID 10640703
N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 110482292
N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
CID 62651288
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide (CID 141064187) is N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide is O=C(CS)NCCc1cccc(O)c1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide?
The InChIKey is USMFNUILBDVICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-9-3-1-2-8(6-9)4-5-11-10(13)7-14/h1-3,6,12,14H,4-5,7H2,(H,11,13).
What are the key properties of N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide?
N-[2-(3-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-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide is sourced from PubChem (CID 141064187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).