2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid

C14H15BrN2O3S — CID 115283800

IUPAC2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCCCn1cc(Br)cc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H15BrN2O3S/c1-2-5-17-8-9(15)7-10(17)13(18)16-12(14(19)20)11-4-3-6-21-11/h3-4,6-8,12H,2,5H2,1H3,(H,16,18)(H,19,20)
InChIKeyVXOSKJKQBWLCOI-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.28
Rot. Bonds6

About 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid

2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115283800) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115283800
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESCCCn1cc(Br)cc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H15BrN2O3S/c1-2-5-17-8-9(15)7-10(17)13(18)16-12(14(19)20)11-4-3-6-21-11/h3-4,6-8,12H,2,5H2,1H3,(H,16,18)(H,19,20)
InChIKeyVXOSKJKQBWLCOI-UHFFFAOYSA-N
XLogP3.28
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid 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

4-bromo-N-[(1S)-1-phenylethyl]-1-propylpyrrole-2-carboxamide
CID 107864120
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283978
2-[(1-methylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 113278622
(2R)-4-amino-2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821533
4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-propylpyrrole-2-carboxamide
CID 54950997
4-bromo-N-(1-hydroxypentan-3-yl)-1-propylpyrrole-2-carboxamide
CID 113495836
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide
CID 79491715
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 79792804
2-[[(4-bromo-1-propylpyrrole-2-carbonyl)amino]methyl]butanoic acid
CID 65219933
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid (CID 115283800) is 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid is CCCn1cc(Br)cc1C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is VXOSKJKQBWLCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-2-5-17-8-9(15)7-10(17)13(18)16-12(14(19)20)11-4-3-6-21-11/h3-4,6-8,12H,2,5H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid?
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 371.26 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115283800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).