2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide

C11H13NO2S — CID 104590202

IUPAC2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1cccc(O)c1
InChIInChI=1S/C11H13NO2S/c1-2-6-12-11(14)8-15-10-5-3-4-9(13)7-10/h2-5,7,13H,1,6,8H2,(H,12,14)
InChIKeyDIRBOWRFSLFAQA-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.79
Rot. Bonds5

About 2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide

2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide (PubChem CID 104590202) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide
PubChem CID104590202
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1cccc(O)c1
InChIInChI=1S/C11H13NO2S/c1-2-6-12-11(14)8-15-10-5-3-4-9(13)7-10/h2-5,7,13H,1,6,8H2,(H,12,14)
InChIKeyDIRBOWRFSLFAQA-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 22925705
2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 8006187
N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590387
N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590290
2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 104590183
2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide
CID 43300833
2-(2-amino-4-methylphenyl)sulfanyl-N-prop-2-enylacetamide
CID 43302751
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
2-(3-hydroxyphenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104590763
2-(3-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 113430046
2-(3-hydroxyphenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 104590537

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide (CID 104590202) is 2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide?
The InChIKey is DIRBOWRFSLFAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-2-6-12-11(14)8-15-10-5-3-4-9(13)7-10/h2-5,7,13H,1,6,8H2,(H,12,14).
What are the key properties of 2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide?
2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide has a molecular weight of 223.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 104590202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).