3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C11H15F3N2OS — CID 61105281

IUPAC3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1sccc1N
InChIInChI=1S/C11H15F3N2OS/c1-2-3-5-16(7-11(12,13)14)10(17)9-8(15)4-6-18-9/h4,6H,2-3,5,7,15H2,1H3
InChIKeyOVMPBSVPLYKKAH-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.13
Rot. Bonds5

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

3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61105281) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61105281
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1sccc1N
InChIInChI=1S/C11H15F3N2OS/c1-2-3-5-16(7-11(12,13)14)10(17)9-8(15)4-6-18-9/h4,6H,2-3,5,7,15H2,1H3
InChIKeyOVMPBSVPLYKKAH-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Aminothiophene-2-carboxamide
CID 518993
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CID 118729734
3-Ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729735
3-[(2,2,2-Trifluoroacetyl)amino]thiophene-2-carboxamide
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3-amino-N-methylthiophene-2-carboxamide
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2-[(3-Ethyl-4-isopropyl-1-piperazinyl)carbonyl]-3-thiophenamine
CID 70779311
3-(2-Fluoroethyl)-2-methylthieno[3,2-d]pyrimidin-4-one
CID 71007402
4-amino-N-(2-fluoroethyl)thiophene-2-carboxamide
CID 130922992
2,2,2-trifluoro-N-methyl-N-((4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)methyl)acetamide
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7-(2,2-difluoroethylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 175780474

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61105281) is 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is OVMPBSVPLYKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-2-3-5-16(7-11(12,13)14)10(17)9-8(15)4-6-18-9/h4,6H,2-3,5,7,15H2,1H3.
What are the key properties of 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61105281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).