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

C11H15F3N2OS — CID 61108683

IUPAC3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1sccc1N
InChIInChI=1S/C11H15F3N2OS/c1-7(2)5-16(6-11(12,13)14)10(17)9-8(15)3-4-18-9/h3-4,7H,5-6,15H2,1-2H3
InChIKeyJLTBQKJANLLROQ-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.99
Rot. Bonds4

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

3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61108683) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61108683
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1sccc1N
InChIInChI=1S/C11H15F3N2OS/c1-7(2)5-16(6-11(12,13)14)10(17)9-8(15)3-4-18-9/h3-4,7H,5-6,15H2,1-2H3
InChIKeyJLTBQKJANLLROQ-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61116148
3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61109632
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 60779427
3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
CID 103100919
3-amino-N-ethyl-N-propylthiophene-2-carboxamide
CID 61095166
5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103296108
2-amino-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62488944
3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 65269424
3-amino-N,N-dimethylthiophene-2-carboxamide
CID 61092296
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54938230
3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103707119

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61108683) is 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is JLTBQKJANLLROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-7(2)5-16(6-11(12,13)14)10(17)9-8(15)3-4-18-9/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61108683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).