N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide

C15H13F3N2O2S — CID 48524891

IUPACN-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1sccc1C
InChIInChI=1S/C15H13F3N2O2S/c1-8-5-6-23-13(8)14(22)20-12-7-10(15(16,17)18)3-4-11(12)19-9(2)21/h3-7H,1-2H3,(H,19,21)(H,20,22)
InChIKeyJEMFYWFYEPORHI-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.29
Rot. Bonds3

About N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide

N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 48524891) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID48524891
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1sccc1C
InChIInChI=1S/C15H13F3N2O2S/c1-8-5-6-23-13(8)14(22)20-12-7-10(15(16,17)18)3-4-11(12)19-9(2)21/h3-7H,1-2H3,(H,19,21)(H,20,22)
InChIKeyJEMFYWFYEPORHI-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
N-(4-amino-2-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24696696
N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 48524436
(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 55006814
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55784735
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 115910932
N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49163356

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide (CID 48524891) is N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide is CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1sccc1C.
What is the InChIKey of N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is JEMFYWFYEPORHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-8-5-6-23-13(8)14(22)20-12-7-10(15(16,17)18)3-4-11(12)19-9(2)21/h3-7H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 342.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 48524891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).