N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C13H18F3NOS — CID 78883884

IUPACN-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cc(C)sc1C
InChIInChI=1S/C13H18F3NOS/c1-4-5-6-17(8-13(14,15)16)12(18)11-7-9(2)19-10(11)3/h7H,4-6,8H2,1-3H3
InChIKeyIEWUPPBHDSVPEO-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.17
Rot. Bonds5

About N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 78883884) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID78883884
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC NameN-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cc(C)sc1C
InChIInChI=1S/C13H18F3NOS/c1-4-5-6-17(8-13(14,15)16)12(18)11-7-9(2)19-10(11)3/h7H,4-6,8H2,1-3H3
InChIKeyIEWUPPBHDSVPEO-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 78883884) is N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1cc(C)sc1C.
What is the InChIKey of N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is IEWUPPBHDSVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-4-5-6-17(8-13(14,15)16)12(18)11-7-9(2)19-10(11)3/h7H,4-6,8H2,1-3H3.
What are the key properties of N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78883884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).