N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide

C14H13NO3S — CID 118722098

IUPACN-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(O)ccc1O
InChIInChI=1S/C14H13NO3S/c16-10-6-7-13(17)12(8-10)15-14(18)9-19-11-4-2-1-3-5-11/h1-8,16-17H,9H2,(H,15,18)
InChIKeyCQPMMJZXMHQKJO-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.83
Rot. Bonds4

About N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide

N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide (PubChem CID 118722098) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide
PubChem CID118722098
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(O)ccc1O
InChIInChI=1S/C14H13NO3S/c16-10-6-7-13(17)12(8-10)15-14(18)9-19-11-4-2-1-3-5-11/h1-8,16-17H,9H2,(H,15,18)
InChIKeyCQPMMJZXMHQKJO-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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide (CID 118722098) is N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cc(O)ccc1O.
What is the InChIKey of N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide?
The InChIKey is CQPMMJZXMHQKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-10-6-7-13(17)12(8-10)15-14(18)9-19-11-4-2-1-3-5-11/h1-8,16-17H,9H2,(H,15,18).
What are the key properties of N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide?
N-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide 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-(2,5-dihydroxyphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 118722098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).