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

C14H13F3N2OS — CID 62880271

IUPAC4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCc2ccccc2C(F)(F)F)cc1N
InChIInChI=1S/C14H13F3N2OS/c1-8-11(18)6-12(21-8)13(20)19-7-9-4-2-3-5-10(9)14(15,16)17/h2-6H,7,18H2,1H3,(H,19,20)
InChIKeyDYODYGOXGLPNII-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.59
Rot. Bonds3

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

4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 62880271) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID62880271
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCc2ccccc2C(F)(F)F)cc1N
InChIInChI=1S/C14H13F3N2OS/c1-8-11(18)6-12(21-8)13(20)19-7-9-4-2-3-5-10(9)14(15,16)17/h2-6H,7,18H2,1H3,(H,19,20)
InChIKeyDYODYGOXGLPNII-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 62880271) is 4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is Cc1sc(C(=O)NCc2ccccc2C(F)(F)F)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is DYODYGOXGLPNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-8-11(18)6-12(21-8)13(20)19-7-9-4-2-3-5-10(9)14(15,16)17/h2-6H,7,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 3.59, 3 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-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 62880271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).