3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C13H10F3NOS — CID 7900704

IUPAC3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NOS/c1-8-5-6-19-11(8)12(18)17-10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyKDHGXQMDBJRJLT-UHFFFAOYSA-N
MW285.29 g/mol
LogP4.33
Rot. Bonds2

About 3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 7900704) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID7900704
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NOS/c1-8-5-6-19-11(8)12(18)17-10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyKDHGXQMDBJRJLT-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 48524891
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 2546301
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
CID 59459100
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135153514
methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
CID 1129095

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 7900704) is 3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is KDHGXQMDBJRJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c1-8-5-6-19-11(8)12(18)17-10-4-2-3-9(7-10)13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 7900704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).