N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide

C14H13NO3S — CID 22925705

IUPACN-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
SMILESO=C(CSc1cccc(O)c1)Nc1ccccc1O
InChIInChI=1S/C14H13NO3S/c16-10-4-3-5-11(8-10)19-9-14(18)15-12-6-1-2-7-13(12)17/h1-8,16-17H,9H2,(H,15,18)
InChIKeyAZCFFJMRTRBXPQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.83
Rot. Bonds4

About N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide

N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide (PubChem CID 22925705) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
PubChem CID22925705
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
SMILESO=C(CSc1cccc(O)c1)Nc1ccccc1O
InChIInChI=1S/C14H13NO3S/c16-10-4-3-5-11(8-10)19-9-14(18)15-12-6-1-2-7-13(12)17/h1-8,16-17H,9H2,(H,15,18)
InChIKeyAZCFFJMRTRBXPQ-UHFFFAOYSA-N
XLogP2.83
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 104590183
N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
CID 6460145
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590379
2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide
CID 104590202
N-(2-aminophenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 55119815
N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590387
2-(3-hydroxyphenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104590763
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide
CID 66349188
2-phenylsulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 78992086

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide (CID 22925705) is N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide is O=C(CSc1cccc(O)c1)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The InChIKey is AZCFFJMRTRBXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-10-4-3-5-11(8-10)19-9-14(18)15-12-6-1-2-7-13(12)17/h1-8,16-17H,9H2,(H,15,18).
What are the key properties of N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide has a molecular weight of 275.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 22925705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).