N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide

C13H14N2OS — CID 24690358

IUPACN-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2C)cc1N
InChIInChI=1S/C13H14N2OS/c1-8-3-4-10(7-11(8)14)15-13(16)12-9(2)5-6-17-12/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyBMJQAZULGXOUDV-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.20
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide

N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 24690358) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
PubChem CID24690358
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2C)cc1N
InChIInChI=1S/C13H14N2OS/c1-8-3-4-10(7-11(8)14)15-13(16)12-9(2)5-6-17-12/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyBMJQAZULGXOUDV-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

N-(3-amino-4-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644063
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
CID 79985935
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 24707080
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 113281020

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide (CID 24690358) is N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2C)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is BMJQAZULGXOUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-3-4-10(7-11(8)14)15-13(16)12-9(2)5-6-17-12/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide?
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-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-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 24690358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).