3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide

C12H10ClNO2S — CID 80641212

IUPAC3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1sccc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-7-6-8(15)2-3-10(7)14-12(16)11-9(13)4-5-17-11/h2-6,15H,1H3,(H,14,16)
InChIKeyDGDVNOHFINIGER-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.67
Rot. Bonds2

About 3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide

3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide (PubChem CID 80641212) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
PubChem CID80641212
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1sccc1Cl
InChIInChI=1S/C12H10ClNO2S/c1-7-6-8(15)2-3-10(7)14-12(16)11-9(13)4-5-17-11/h2-6,15H,1H3,(H,14,16)
InChIKeyDGDVNOHFINIGER-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.67
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-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
CID 79976367
3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 80644972
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
3-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860597
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
N-(4-amino-2-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24696696
4-amino-2-chloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 110464996
N-(3-amino-4-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644063
N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645283
4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 80644550

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide (CID 80641212) is 3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide is Cc1cc(O)ccc1NC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is DGDVNOHFINIGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7-6-8(15)2-3-10(7)14-12(16)11-9(13)4-5-17-11/h2-6,15H,1H3,(H,14,16).
What are the key properties of 3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide?
3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 80641212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).