2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide

C14H12F3NO2S — CID 43034383

IUPAC2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OC(F)(F)F)c(C)s1
InChIInChI=1S/C14H12F3NO2S/c1-8-7-10(9(2)21-8)13(19)18-11-5-3-4-6-12(11)20-14(15,16)17/h3-7H,1-2H3,(H,18,19)
InChIKeyATYQVBQTIOFIRY-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.52
Rot. Bonds3

About 2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide

2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide (PubChem CID 43034383) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
PubChem CID43034383
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OC(F)(F)F)c(C)s1
InChIInChI=1S/C14H12F3NO2S/c1-8-7-10(9(2)21-8)13(19)18-11-5-3-4-6-12(11)20-14(15,16)17/h3-7H,1-2H3,(H,18,19)
InChIKeyATYQVBQTIOFIRY-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034362
N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040
2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
CID 62534196
3-methyl-4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16960800
4-methyl-3-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17396372
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
3-amino-4-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048493
N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 29203485

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide (CID 43034383) is 2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2OC(F)(F)F)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide?
The InChIKey is ATYQVBQTIOFIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-8-7-10(9(2)21-8)13(19)18-11-5-3-4-6-12(11)20-14(15,16)17/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide?
2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 43034383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).