5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C12H15BrF3NOS — CID 54878193

IUPAC5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1csc(Br)c1
InChIInChI=1S/C12H15BrF3NOS/c1-3-9(4-2)17(7-12(14,15)16)11(18)8-5-10(13)19-6-8/h5-6,9H,3-4,7H2,1-2H3
InChIKeyGFVPQUPWLPBEAX-UHFFFAOYSA-N
MW358.22 g/mol
LogP4.70
Rot. Bonds5

About 5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 54878193) has the molecular formula C12H15BrF3NOS and a molecular weight of 358.22 g/mol. Its IUPAC name is 5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID54878193
Molecular FormulaC12H15BrF3NOS
Molecular Weight358.22 g/mol
Exact Mass357.00
IUPAC Name5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1csc(Br)c1
InChIInChI=1S/C12H15BrF3NOS/c1-3-9(4-2)17(7-12(14,15)16)11(18)8-5-10(13)19-6-8/h5-6,9H,3-4,7H2,1-2H3
InChIKeyGFVPQUPWLPBEAX-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 54878193) is 5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is GFVPQUPWLPBEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3NOS/c1-3-9(4-2)17(7-12(14,15)16)11(18)8-5-10(13)19-6-8/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 358.22 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 54878193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).