4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C13H19F3N2OS — CID 61110418

IUPAC4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C13H19F3N2OS/c1-4-9(5-2)18(7-13(14,15)16)12(19)11-6-10(17)8(3)20-11/h6,9H,4-5,7,17H2,1-3H3
InChIKeyJMKRUWONJXIAOP-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.83
Rot. Bonds5

About 4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61110418) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61110418
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C13H19F3N2OS/c1-4-9(5-2)18(7-13(14,15)16)12(19)11-6-10(17)8(3)20-11/h6,9H,4-5,7,17H2,1-3H3
InChIKeyJMKRUWONJXIAOP-UHFFFAOYSA-N
XLogP3.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61110418) is 4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is JMKRUWONJXIAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-4-9(5-2)18(7-13(14,15)16)12(19)11-6-10(17)8(3)20-11/h6,9H,4-5,7,17H2,1-3H3.
What are the key properties of 4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61110418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).