N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide

C13H12FNOS — CID 18196520

IUPACN-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)c(C)s1
InChIInChI=1S/C13H12FNOS/c1-8-6-12(9(2)17-8)13(16)15-11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,15,16)
InChIKeyKQZZTGJYQNYVOI-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.76
Rot. Bonds2

About N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide

N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 18196520) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID18196520
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC NameN-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)c(C)s1
InChIInChI=1S/C13H12FNOS/c1-8-6-12(9(2)17-8)13(16)15-11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,15,16)
InChIKeyKQZZTGJYQNYVOI-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 135292739
4-ethyl-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 9412427
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 42878929
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
2,5-dimethyl-N-(2-methyl-4-pyridinyl)thiophene-3-carboxamide
CID 110705565
N-(3-fluorophenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248392

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide (CID 18196520) is N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2cccc(F)c2)c(C)s1.
What is the InChIKey of N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is KQZZTGJYQNYVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c1-8-6-12(9(2)17-8)13(16)15-11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide?
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 18196520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).