N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide

C13H14N2OS — CID 79802134

IUPACN-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2cscc2C)ccc1N
InChIInChI=1S/C13H14N2OS/c1-8-5-10(3-4-12(8)14)15-13(16)11-7-17-6-9(11)2/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyYJEUXWUQNGTCFY-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.20
Rot. Bonds2

About N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide

N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide (PubChem CID 79802134) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
PubChem CID79802134
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2cscc2C)ccc1N
InChIInChI=1S/C13H14N2OS/c1-8-5-10(3-4-12(8)14)15-13(16)11-7-17-6-9(11)2/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyYJEUXWUQNGTCFY-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.20
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

2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864
N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide
CID 103944405
N-(2-aminophenyl)-4-methylthiophene-3-carboxamide
CID 79802569
2-amino-N-(4-fluoro-3-methylphenyl)-5-hydroxybenzamide
CID 107075174
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-methylthiophene-3-carboxamide
CID 79807484
4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 99838544
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
N-(6-fluoro-3-pyridinyl)-4-methylthiophene-3-carboxamide
CID 103789592
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide
CID 79802132
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylthiophene-3-carboxamide
CID 79802455

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide (CID 79802134) is N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide is Cc1cc(NC(=O)c2cscc2C)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide?
The InChIKey is YJEUXWUQNGTCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-5-10(3-4-12(8)14)15-13(16)11-7-17-6-9(11)2/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide?
N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79802134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).