3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide

C16H15F3N2O2S — CID 55784735

IUPAC3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1sccc1C
InChIInChI=1S/C16H15F3N2O2S/c1-9-3-4-11(14(22)20-8-16(17,18)19)7-12(9)21-15(23)13-10(2)5-6-24-13/h3-7H,8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYLBFSQXHGSFSEK-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.91
Rot. Bonds4

About 3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide

3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 55784735) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID55784735
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1sccc1C
InChIInChI=1S/C16H15F3N2O2S/c1-9-3-4-11(14(22)20-8-16(17,18)19)7-12(9)21-15(23)13-10(2)5-6-24-13/h3-7H,8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYLBFSQXHGSFSEK-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 71894903
2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 87025355
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55785407
3-[(2-amino-2-methylpentanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726148
3-[(4-butoxybenzoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785183
2-methyl-3-[methyl-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]amino]propanoic acid
CID 122076338
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55972511
3-[3-(4-tert-butylphenyl)propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55784548
(1R,6S)-6-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599011
3-[(3-amino-3-phenylpropanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119949954
5-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55785215
3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119726113

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 55784735) is 3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1sccc1C.
What is the InChIKey of 3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is YLBFSQXHGSFSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-9-3-4-11(14(22)20-8-16(17,18)19)7-12(9)21-15(23)13-10(2)5-6-24-13/h3-7H,8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide?
3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55784735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).