5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide

C15H13F3N2O2S — CID 4764229

IUPAC5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCC(=O)c1sc(N)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C15H13F3N2O2S/c1-7-11(13(19)23-12(7)8(2)21)14(22)20-10-5-3-4-9(6-10)15(16,17)18/h3-6H,19H2,1-2H3,(H,20,22)
InChIKeyRJZLMFRURWYBDZ-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.11
Rot. Bonds3

About 5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide

5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide (PubChem CID 4764229) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
PubChem CID4764229
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCC(=O)c1sc(N)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C15H13F3N2O2S/c1-7-11(13(19)23-12(7)8(2)21)14(22)20-10-5-3-4-9(6-10)15(16,17)18/h3-6H,19H2,1-2H3,(H,20,22)
InChIKeyRJZLMFRURWYBDZ-UHFFFAOYSA-N
XLogP4.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
CID 1129095
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1486828
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
5-amino-3-methyl-2-N-phenyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2,4-dicarboxamide
CID 138490331
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 141271063
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride
CID 21152450
ethyl 2-[(4-fluorobenzoyl)amino]-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
CID 2254211
N-(3-aminophenyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylbenzamide
CID 86640288
methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
CID 3135261

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide (CID 4764229) is 5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide is CC(=O)c1sc(N)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is RJZLMFRURWYBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-7-11(13(19)23-12(7)8(2)21)14(22)20-10-5-3-4-9(6-10)15(16,17)18/h3-6H,19H2,1-2H3,(H,20,22).
What are the key properties of 5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 342.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 4764229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).