N-(2-aminophenyl)-4-methylthiophene-3-carboxamide

C12H12N2OS — CID 79802569

IUPACN-(2-aminophenyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccccc1N
InChIInChI=1S/C12H12N2OS/c1-8-6-16-7-9(8)12(15)14-11-5-3-2-4-10(11)13/h2-7H,13H2,1H3,(H,14,15)
InChIKeyFFQPYTQPMHRTJX-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.89
Rot. Bonds2

About N-(2-aminophenyl)-4-methylthiophene-3-carboxamide

N-(2-aminophenyl)-4-methylthiophene-3-carboxamide (PubChem CID 79802569) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-methylthiophene-3-carboxamide
PubChem CID79802569
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(2-aminophenyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccccc1N
InChIInChI=1S/C12H12N2OS/c1-8-6-16-7-9(8)12(15)14-11-5-3-2-4-10(11)13/h2-7H,13H2,1H3,(H,14,15)
InChIKeyFFQPYTQPMHRTJX-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802397
N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
CID 113275866
N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802134
N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide
CID 79802132
N-(2-fluoro-4-hydroxyphenyl)-4-methylthiophene-3-carboxamide
CID 79808290
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
N-(2-aminophenyl)-6,7-dimethyl-1-benzofuran-2-carboxamide
CID 91099174
N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802377
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82371184
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-4-methylthiophene-3-carboxamide (CID 79802569) is N-(2-aminophenyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-methylthiophene-3-carboxamide?
The InChIKey is FFQPYTQPMHRTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-6-16-7-9(8)12(15)14-11-5-3-2-4-10(11)13/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminophenyl)-4-methylthiophene-3-carboxamide?
N-(2-aminophenyl)-4-methylthiophene-3-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79802569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).