4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide

C13H10ClF3N2OS — CID 116698668

IUPAC4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C13H10ClF3N2OS/c1-6-10(18)5-11(21-6)12(20)19-9-3-7(13(15,16)17)2-8(14)4-9/h2-5H,18H2,1H3,(H,19,20)
InChIKeyTUNXHEKHPXHTCQ-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.56
Rot. Bonds2

About 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide

4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 116698668) has the molecular formula C13H10ClF3N2OS and a molecular weight of 334.75 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide
PubChem CID116698668
Molecular FormulaC13H10ClF3N2OS
Molecular Weight334.75 g/mol
Exact Mass334.02
IUPAC Name4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C13H10ClF3N2OS/c1-6-10(18)5-11(21-6)12(20)19-9-3-7(13(15,16)17)2-8(14)4-9/h2-5H,18H2,1H3,(H,19,20)
InChIKeyTUNXHEKHPXHTCQ-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 66478729
4-amino-N-(3-chloro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61091195
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 116698676
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 116698677
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
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
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 63333055
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide
CID 107036187

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide (CID 116698668) is 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cc1N.
What is the InChIKey of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is TUNXHEKHPXHTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2OS/c1-6-10(18)5-11(21-6)12(20)19-9-3-7(13(15,16)17)2-8(14)4-9/h2-5H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 334.75 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 116698668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).