N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide

C12H10ClNO2S — CID 63935507

IUPACN-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(O)c(Cl)c2)s1
InChIInChI=1S/C12H10ClNO2S/c1-7-2-5-11(17-7)12(16)14-8-3-4-10(15)9(13)6-8/h2-6,15H,1H3,(H,14,16)
InChIKeyPIQWIWFKHQKQRV-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.67
Rot. Bonds2

About N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide

N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 63935507) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID63935507
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(O)c(Cl)c2)s1
InChIInChI=1S/C12H10ClNO2S/c1-7-2-5-11(17-7)12(16)14-8-3-4-10(15)9(13)6-8/h2-6,15H,1H3,(H,14,16)
InChIKeyPIQWIWFKHQKQRV-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-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 37032471
4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787518
5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 18089373
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
N-(3-chloro-4-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78955049
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 36865757
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide (CID 63935507) is N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(O)c(Cl)c2)s1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is PIQWIWFKHQKQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7-2-5-11(17-7)12(16)14-8-3-4-10(15)9(13)6-8/h2-6,15H,1H3,(H,14,16).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-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 N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 63935507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).