2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide

C13H19Br2NOS — CID 114021292

IUPAC2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H19Br2NOS/c1-4-9(5-2)8-16(6-3)13(17)10-7-11(14)18-12(10)15/h7,9H,4-6,8H2,1-3H3
InChIKeyPFESUQXPIBXMLG-UHFFFAOYSA-N
MW397.18 g/mol
LogP5.17
Rot. Bonds6

About 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide

2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide (PubChem CID 114021292) has the molecular formula C13H19Br2NOS and a molecular weight of 397.18 g/mol. Its IUPAC name is 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
PubChem CID114021292
Molecular FormulaC13H19Br2NOS
Molecular Weight397.18 g/mol
Exact Mass394.96
IUPAC Name2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H19Br2NOS/c1-4-9(5-2)8-16(6-3)13(17)10-7-11(14)18-12(10)15/h7,9H,4-6,8H2,1-3H3
InChIKeyPFESUQXPIBXMLG-UHFFFAOYSA-N
XLogP5.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.18
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide
CID 107966256
2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide
CID 114263913
5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642
2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 55041522
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
CID 107965873
2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 103752405
2-bromo-1-(2,5-dibromothiophen-3-yl)butan-1-one
CID 63386483
5-bromo-N-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55873207
N-(2-amino-2-sulfanylideneethyl)-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 114021243
2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 107966465

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide (CID 114021292) is 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide is CCC(CC)CN(CC)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide?
The InChIKey is PFESUQXPIBXMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NOS/c1-4-9(5-2)8-16(6-3)13(17)10-7-11(14)18-12(10)15/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide?
2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide has a molecular weight of 397.18 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide is sourced from PubChem (CID 114021292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).