5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide

C15H15BrN2O2S — CID 39688133

IUPAC5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide
SMILESCCNC(=O)Cc1ccc(NC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-2-17-14(19)7-10-3-5-12(6-4-10)18-15(20)11-8-13(16)21-9-11/h3-6,8-9H,2,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyIWVJZUSFVOYQNH-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.44
Rot. Bonds5

About 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide

5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide (PubChem CID 39688133) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide
PubChem CID39688133
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide
SMILESCCNC(=O)Cc1ccc(NC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-2-17-14(19)7-10-3-5-12(6-4-10)18-15(20)11-8-13(16)21-9-11/h3-6,8-9H,2,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyIWVJZUSFVOYQNH-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide (CID 39688133) is 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide is CCNC(=O)Cc1ccc(NC(=O)c2csc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide?
The InChIKey is IWVJZUSFVOYQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-2-17-14(19)7-10-3-5-12(6-4-10)18-15(20)11-8-13(16)21-9-11/h3-6,8-9H,2,7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide?
5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 39688133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).