5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide

C15H13BrN2O2S — CID 39638037

IUPAC5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1csc(Br)c1
InChIInChI=1S/C15H13BrN2O2S/c16-13-8-10(9-21-13)15(20)17-11-4-1-2-5-12(11)18-7-3-6-14(18)19/h1-2,4-5,8-9H,3,6-7H2,(H,17,20)
InChIKeyNAAVOMUJCSBGKC-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.89
Rot. Bonds3

About 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide

5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide (PubChem CID 39638037) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
PubChem CID39638037
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1csc(Br)c1
InChIInChI=1S/C15H13BrN2O2S/c16-13-8-10(9-21-13)15(20)17-11-4-1-2-5-12(11)18-7-3-6-14(18)19/h1-2,4-5,8-9H,3,6-7H2,(H,17,20)
InChIKeyNAAVOMUJCSBGKC-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)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

Related Compounds

3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18090514
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
CID 17426523
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9442082
3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18204927
2-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693892
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 107909776
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
2-(2-aminoethyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 120618775
1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide
CID 55864837
3-ethoxy-4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17497049

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide (CID 39638037) is 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1N1CCCC1=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is NAAVOMUJCSBGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-13-8-10(9-21-13)15(20)17-11-4-1-2-5-12(11)18-7-3-6-14(18)19/h1-2,4-5,8-9H,3,6-7H2,(H,17,20).
What are the key properties of 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide?
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 365.25 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 39638037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).