3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide

C13H17F3N2O2S — CID 58458782

IUPAC3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC(C)(C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C13H17F3N2O2S/c1-7-5-8(2)21-9(7)10(19)18-12(3,4)11(20)17-6-13(14,15)16/h5H,6H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyGMQNXJVHXKEQAG-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.55
Rot. Bonds4

About 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide

3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide (PubChem CID 58458782) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide
PubChem CID58458782
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC(C)(C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C13H17F3N2O2S/c1-7-5-8(2)21-9(7)10(19)18-12(3,4)11(20)17-6-13(14,15)16/h5H,6H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyGMQNXJVHXKEQAG-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide (CID 58458782) is 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide is Cc1cc(C)c(C(=O)NC(C)(C)C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is GMQNXJVHXKEQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-7-5-8(2)21-9(7)10(19)18-12(3,4)11(20)17-6-13(14,15)16/h5H,6H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide?
3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58458782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).