N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide

C13H14N2OS — CID 62057768

IUPACN-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(N)c2)sc1C
InChIInChI=1S/C13H14N2OS/c1-8-6-12(17-9(8)2)13(16)15-11-5-3-4-10(14)7-11/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyZQOLYPKKLQESFC-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.20
Rot. Bonds2

About N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide

N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 62057768) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID62057768
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(N)c2)sc1C
InChIInChI=1S/C13H14N2OS/c1-8-6-12(17-9(8)2)13(16)15-11-5-3-4-10(14)7-11/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyZQOLYPKKLQESFC-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-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
CID 65239175
N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057931
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31506049
2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 71936304
4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
CID 61118215
4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
CID 136731179
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide (CID 62057768) is N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cccc(N)c2)sc1C.
What is the InChIKey of N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is ZQOLYPKKLQESFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-6-12(17-9(8)2)13(16)15-11-5-3-4-10(14)7-11/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(3-aminophenyl)-4,5-dimethylthiophene-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-aminophenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 62057768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).