N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide

C13H11FN2O3S — CID 86786920

IUPACN-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1ccc(O)cc1F
InChIInChI=1S/C13H11FN2O3S/c14-9-6-8(17)3-4-10(9)16-12(18)7-15-13(19)11-2-1-5-20-11/h1-6,17H,7H2,(H,15,19)(H,16,18)
InChIKeyJSVDROXZCXNLCY-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 86786920) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID86786920
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC NameN-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1ccc(O)cc1F
InChIInChI=1S/C13H11FN2O3S/c14-9-6-8(17)3-4-10(9)16-12(18)7-15-13(19)11-2-1-5-20-11/h1-6,17H,7H2,(H,15,19)(H,16,18)
InChIKeyJSVDROXZCXNLCY-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
CID 2408596
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9495522
N-(4-hydroxyphenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
CID 1923746
N-(4-Hydroxy-phenyl)-3-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-propionamide
CID 1921488
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 24978654
N-(4-hydroxyphenyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
CID 1923747
(E)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 2454926
N-(2-Hydroxyphenyl)-2-thiophenecarboxamide
CID 772142
N-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 3506103
N-[1-[(4-hydroxyanilino)carbonyl]-2-(2-thienyl)vinyl]benzamide
CID 1724958
Sdccgsbi-0662025.P001
CID 2451423
Thiophene-2-carboxylic acid {[cyclohexylcarbamoylmethyl-(4-methoxy-phenyl)-carbamoyl]-methyl}-amide
CID 3211292

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 86786920) is N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)Nc1ccc(O)cc1F.
What is the InChIKey of N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is JSVDROXZCXNLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c14-9-6-8(17)3-4-10(9)16-12(18)7-15-13(19)11-2-1-5-20-11/h1-6,17H,7H2,(H,15,19)(H,16,18).
What are the key properties of N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 86786920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).