N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide

C13H12N2O3S — CID 47378451

IUPACN-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide
SMILESO=C(CNC(=O)c1ccsc1)Nc1ccccc1O
InChIInChI=1S/C13H12N2O3S/c16-11-4-2-1-3-10(11)15-12(17)7-14-13(18)9-5-6-19-8-9/h1-6,8,16H,7H2,(H,14,18)(H,15,17)
InChIKeyBIPACNUSMVYGAN-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.82
Rot. Bonds4

About N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide

N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 47378451) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide
PubChem CID47378451
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide
SMILESO=C(CNC(=O)c1ccsc1)Nc1ccccc1O
InChIInChI=1S/C13H12N2O3S/c16-11-4-2-1-3-10(11)15-12(17)7-14-13(18)9-5-6-19-8-9/h1-6,8,16H,7H2,(H,14,18)(H,15,17)
InChIKeyBIPACNUSMVYGAN-UHFFFAOYSA-N
XLogP1.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.82
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-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55455739
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-3-carboxamide
CID 47377756
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 47378175
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369
N-[3-[[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 49492296
N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide
CID 95774795
N-[3-(5-tert-butyl-2-hydroxyanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 29265430
N-[3-oxo-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propyl]thiophene-3-carboxamide
CID 27813046

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide (CID 47378451) is N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide is O=C(CNC(=O)c1ccsc1)Nc1ccccc1O.
What is the InChIKey of N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is BIPACNUSMVYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-11-4-2-1-3-10(11)15-12(17)7-14-13(18)9-5-6-19-8-9/h1-6,8,16H,7H2,(H,14,18)(H,15,17).
What are the key properties of N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide?
N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 47378451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).