N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide

C13H12ClNO2S — CID 79976367

IUPACN-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-2-8-5-6-18-12(8)13(17)15-11-4-3-9(16)7-10(11)14/h3-7,16H,2H2,1H3,(H,15,17)
InChIKeyKOIYSEHYJAJQMJ-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.92
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide

N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide (PubChem CID 79976367) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
PubChem CID79976367
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C13H12ClNO2S/c1-2-8-5-6-18-12(8)13(17)15-11-4-3-9(16)7-10(11)14/h3-7,16H,2H2,1H3,(H,15,17)
InChIKeyKOIYSEHYJAJQMJ-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985766
N-(5-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985119
N-(3-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
CID 79976267
3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
CID 80641212
3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide
CID 47365771
N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide
CID 64786376
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
N-(2-chloro-4-hydroxyphenyl)butanamide
CID 64789093
N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 136905898
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64788114
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 120604147

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide (CID 79976367) is N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is KOIYSEHYJAJQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-2-8-5-6-18-12(8)13(17)15-11-4-3-9(16)7-10(11)14/h3-7,16H,2H2,1H3,(H,15,17).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide?
N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 281.76 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 79976367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).