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

C14H13F3N2OS — CID 66478729

IUPAC4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C14H13F3N2OS/c1-7-3-4-9(14(15,16)17)5-11(7)19-13(20)12-6-10(18)8(2)21-12/h3-6H,18H2,1-2H3,(H,19,20)
InChIKeyCEKKRKZNEJMGAK-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.22
Rot. Bonds2

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

4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 66478729) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID66478729
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C14H13F3N2OS/c1-7-3-4-9(14(15,16)17)5-11(7)19-13(20)12-6-10(18)8(2)21-12/h3-6H,18H2,1-2H3,(H,19,20)
InChIKeyCEKKRKZNEJMGAK-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79975104
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide
CID 116698668
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66475257
4-amino-N-(4-chloro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61093919
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 66481317
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 78777792
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 63333055
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
4-amino-N-(3-chloro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61091195

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 66478729) is 4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is Cc1ccc(C(F)(F)F)cc1NC(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is CEKKRKZNEJMGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-7-3-4-9(14(15,16)17)5-11(7)19-13(20)12-6-10(18)8(2)21-12/h3-6H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 66478729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).