3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C15H11F3N2OS — CID 90132561

IUPAC3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(-c2ccc(C#N)cc2)c(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C15H11F3N2OS/c1-9-6-12(11-4-2-10(7-19)3-5-11)13(22-9)14(21)20-8-15(16,17)18/h2-6H,8H2,1H3,(H,20,21)
InChIKeyXXAJDXZGZXYKMC-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.89
Rot. Bonds3

About 3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 90132561) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID90132561
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(-c2ccc(C#N)cc2)c(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C15H11F3N2OS/c1-9-6-12(11-4-2-10(7-19)3-5-11)13(22-9)14(21)20-8-15(16,17)18/h2-6H,8H2,1H3,(H,20,21)
InChIKeyXXAJDXZGZXYKMC-UHFFFAOYSA-N
XLogP3.89
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320
N-methyl-5-phenyl-2-thiophenecarboxamide
CID 3790018
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44563197

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 90132561) is 3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1cc(-c2ccc(C#N)cc2)c(C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is XXAJDXZGZXYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c1-9-6-12(11-4-2-10(7-19)3-5-11)13(22-9)14(21)20-8-15(16,17)18/h2-6H,8H2,1H3,(H,20,21).
What are the key properties of 3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 324.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 90132561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).