N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide

C14H11FN2OS — CID 79954018

IUPACN-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2C#N)sc1C
InChIInChI=1S/C14H11FN2OS/c1-8-5-13(19-9(8)2)14(18)17-12-4-3-11(15)6-10(12)7-16/h3-6H,1-2H3,(H,17,18)
InChIKeyATQGMRJIMLNXKF-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.63
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide

N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 79954018) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID79954018
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC NameN-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2C#N)sc1C
InChIInChI=1S/C14H11FN2OS/c1-8-5-13(19-9(8)2)14(18)17-12-4-3-11(15)6-10(12)7-16/h3-6H,1-2H3,(H,17,18)
InChIKeyATQGMRJIMLNXKF-UHFFFAOYSA-N
XLogP3.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79953525
N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79954172
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 104880459
3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 103401716
N-(2-cyano-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 79954179
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(2-cyano-4-fluorophenyl)furan-3-carboxamide
CID 79954360
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
5-bromo-N-(2-cyano-4-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79987442

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide (CID 79954018) is N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2C#N)sc1C.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is ATQGMRJIMLNXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-8-5-13(19-9(8)2)14(18)17-12-4-3-11(15)6-10(12)7-16/h3-6H,1-2H3,(H,17,18).
What are the key properties of N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 79954018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).