N-(4-aminophenyl)-5-methylthiophene-2-carboxamide

C12H12N2OS — CID 22612974

IUPACN-(4-aminophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N)cc2)s1
InChIInChI=1S/C12H12N2OS/c1-8-2-7-11(16-8)12(15)14-10-5-3-9(13)4-6-10/h2-7H,13H2,1H3,(H,14,15)
InChIKeyOMFKULJZEULOKL-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.89
Rot. Bonds2

About N-(4-aminophenyl)-5-methylthiophene-2-carboxamide

N-(4-aminophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 22612974) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-methylthiophene-2-carboxamide
PubChem CID22612974
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(4-aminophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N)cc2)s1
InChIInChI=1S/C12H12N2OS/c1-8-2-7-11(16-8)12(15)14-10-5-3-9(13)4-6-10/h2-7H,13H2,1H3,(H,14,15)
InChIKeyOMFKULJZEULOKL-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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
N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 107333812
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
methyl N-methyl-N-[4-[(5-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 71937597
4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid
CID 55178097
5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3448356
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 18072015
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-5-methylthiophene-2-carboxamide (CID 22612974) is N-(4-aminophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(N)cc2)s1.
What is the InChIKey of N-(4-aminophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is OMFKULJZEULOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-2-7-11(16-8)12(15)14-10-5-3-9(13)4-6-10/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of N-(4-aminophenyl)-5-methylthiophene-2-carboxamide?
N-(4-aminophenyl)-5-methylthiophene-2-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-(4-aminophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 22612974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).