N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide

C16H15F3N2O2S — CID 7520896

IUPACN,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc(C)c1C
InChIInChI=1S/C16H15F3N2O2S/c1-8-9(2)24-15(12(8)14(23)20-3)21-13(22)10-5-4-6-11(7-10)16(17,18)19/h4-7H,1-3H3,(H,20,23)(H,21,22)
InChIKeyKMCVEJJDXLMMMG-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.00
Rot. Bonds3

About N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide

N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 7520896) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID7520896
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc(C)c1C
InChIInChI=1S/C16H15F3N2O2S/c1-8-9(2)24-15(12(8)14(23)20-3)21-13(22)10-5-4-6-11(7-10)16(17,18)19/h4-7H,1-3H3,(H,20,23)(H,21,22)
InChIKeyKMCVEJJDXLMMMG-UHFFFAOYSA-N
XLogP4.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7474999
N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 7520874
N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide
CID 7520924
5-methyl-4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
CID 55571774
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7287220
methyl 2-[[3-(trifluoromethyl)benzoyl]amino]-1-benzothiophene-3-carboxylate
CID 7673157
3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 17463691
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
(5R)-5-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7090919
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide (CID 7520896) is N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide is CNC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc(C)c1C.
What is the InChIKey of N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is KMCVEJJDXLMMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-8-9(2)24-15(12(8)14(23)20-3)21-13(22)10-5-4-6-11(7-10)16(17,18)19/h4-7H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide?
N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 7520896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).