N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide

C13H12ClNO2S — CID 64786376

IUPACN-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(O)cc2Cl)s1
InChIInChI=1S/C13H12ClNO2S/c1-2-9-4-6-12(18-9)13(17)15-11-5-3-8(16)7-10(11)14/h3-7,16H,2H2,1H3,(H,15,17)
InChIKeyHGTGPCVBZQMNHX-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.92
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide

N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide (PubChem CID 64786376) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide
PubChem CID64786376
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(O)cc2Cl)s1
InChIInChI=1S/C13H12ClNO2S/c1-2-9-4-6-12(18-9)13(17)15-11-5-3-8(16)7-10(11)14/h3-7,16H,2H2,1H3,(H,15,17)
InChIKeyHGTGPCVBZQMNHX-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)-5-ethylthiophene-2-carboxamide
CID 54594630
4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
CID 43358861
N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
CID 79976367
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 4219949
5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 54960567
N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 86857903
N-(2-chloro-4-hydroxyphenyl)butanamide
CID 64789093
N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 113274434
N-(2-bromo-4-carbamothioylphenyl)-5-ethylthiophene-2-carboxamide
CID 107789968

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide (CID 64786376) is N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(O)cc2Cl)s1.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is HGTGPCVBZQMNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-2-9-4-6-12(18-9)13(17)15-11-5-3-8(16)7-10(11)14/h3-7,16H,2H2,1H3,(H,15,17).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide?
N-(2-chloro-4-hydroxyphenyl)-5-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)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 64786376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).