4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide

C11H14F3N3O2S — CID 61108132

IUPAC4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)CC(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C11H14F3N3O2S/c1-6-7(15)3-8(20-6)10(19)17(2)4-9(18)16-5-11(12,13)14/h3H,4-5,15H2,1-2H3,(H,16,18)
InChIKeyCHEHVNSVQAEBDO-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.39
Rot. Bonds4

About 4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide

4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 61108132) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
PubChem CID61108132
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)CC(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C11H14F3N3O2S/c1-6-7(15)3-8(20-6)10(19)17(2)4-9(18)16-5-11(12,13)14/h3H,4-5,15H2,1-2H3,(H,16,18)
InChIKeyCHEHVNSVQAEBDO-UHFFFAOYSA-N
XLogP1.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide (CID 61108132) is 4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide is Cc1sc(C(=O)N(C)CC(=O)NCC(F)(F)F)cc1N.
What is the InChIKey of 4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is CHEHVNSVQAEBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-6-7(15)3-8(20-6)10(19)17(2)4-9(18)16-5-11(12,13)14/h3H,4-5,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 309.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 61108132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).