N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide

C13H14N2OS — CID 79802397

IUPACN-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1c(C)cccc1N
InChIInChI=1S/C13H14N2OS/c1-8-4-3-5-11(14)12(8)15-13(16)10-7-17-6-9(10)2/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyJMSNEWSEIQGGSD-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.20
Rot. Bonds2

About N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide

N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide (PubChem CID 79802397) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide
PubChem CID79802397
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1c(C)cccc1N
InChIInChI=1S/C13H14N2OS/c1-8-4-3-5-11(14)12(8)15-13(16)10-7-17-6-9(10)2/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyJMSNEWSEIQGGSD-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-(2-aminophenyl)-4-methylthiophene-3-carboxamide
CID 79802569
N-(2-amino-6-methylphenyl)-2,4-dimethylbenzamide
CID 43330062
N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802134
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350
3-bromo-2-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802679
N-(2-amino-6-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731116
N-(2-amino-6-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 43330005
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061
N-(2-amino-6-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951439
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614559
N-(2-amino-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 43152262

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide (CID 79802397) is N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)Nc1c(C)cccc1N.
What is the InChIKey of N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide?
The InChIKey is JMSNEWSEIQGGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-4-3-5-11(14)12(8)15-13(16)10-7-17-6-9(10)2/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide?
N-(2-amino-6-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-(2-amino-6-methylphenyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79802397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).