2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide

C10H13NO2S — CID 137320446

IUPAC2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCCS
InChIInChI=1S/C10H13NO2S/c12-9-3-1-8(2-4-9)7-10(13)11-5-6-14/h1-4,12,14H,5-7H2,(H,11,13)
InChIKeyZOYJLDQAKNYMTB-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.98
Rot. Bonds4

About 2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide

2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide (PubChem CID 137320446) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide
PubChem CID137320446
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCCS
InChIInChI=1S/C10H13NO2S/c12-9-3-1-8(2-4-9)7-10(13)11-5-6-14/h1-4,12,14H,5-7H2,(H,11,13)
InChIKeyZOYJLDQAKNYMTB-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

(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfanylethyl)propanamide
CID 57326717
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
CID 43601526
N-[2-(diethylamino)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 110463127
2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
CID 167019595
(E)-4-[2-[[2-(4-hydroxyphenyl)acetyl]amino]ethylamino]-4-oxobut-2-enoate
CID 7176761
3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide
CID 91929675
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide (CID 137320446) is 2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide is O=C(Cc1ccc(O)cc1)NCCS.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide?
The InChIKey is ZOYJLDQAKNYMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-9-3-1-8(2-4-9)7-10(13)11-5-6-14/h1-4,12,14H,5-7H2,(H,11,13).
What are the key properties of 2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide?
2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide 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 2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 137320446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).