5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide

C13H11F3N2OS — CID 79606552

IUPAC5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)10-3-1-2-4-11(10)18-6-9-5-8(7-20-9)12(17)19/h1-5,7,18H,6H2,(H2,17,19)
InChIKeyPYHQVLQXYKWSAT-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.48
Rot. Bonds4

About 5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide

5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide (PubChem CID 79606552) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
PubChem CID79606552
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)10-3-1-2-4-11(10)18-6-9-5-8(7-20-9)12(17)19/h1-5,7,18H,6H2,(H2,17,19)
InChIKeyPYHQVLQXYKWSAT-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28972863
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 79611373
5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
CID 79614589
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide
CID 79611377
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
CID 79614297
5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
CID 81463264

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide (CID 79606552) is 5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide?
The InChIKey is PYHQVLQXYKWSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)10-3-1-2-4-11(10)18-6-9-5-8(7-20-9)12(17)19/h1-5,7,18H,6H2,(H2,17,19).
What are the key properties of 5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide?
5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79606552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).