N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide

C14H13NO3S — CID 154430373

IUPACN-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide
SMILESCC(=O)N(Sc1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C14H13NO3S/c1-10(16)15(13-4-2-3-5-14(13)18)19-12-8-6-11(17)7-9-12/h2-9,17-18H,1H3
InChIKeyFQUOFFVDXYMTAH-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.16
Rot. Bonds3

About N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide

N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 154430373) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID154430373
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide
SMILESCC(=O)N(Sc1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C14H13NO3S/c1-10(16)15(13-4-2-3-5-14(13)18)19-12-8-6-11(17)7-9-12/h2-9,17-18H,1H3
InChIKeyFQUOFFVDXYMTAH-UHFFFAOYSA-N
XLogP3.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide (CID 154430373) is N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide is CC(=O)N(Sc1ccc(O)cc1)c1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is FQUOFFVDXYMTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-10(16)15(13-4-2-3-5-14(13)18)19-12-8-6-11(17)7-9-12/h2-9,17-18H,1H3.
What are the key properties of N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide?
N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 275.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-N-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 154430373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).