4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide

C13H15BrN2OS — CID 78990952

IUPAC4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCc1sccc1C
InChIInChI=1S/C13H15BrN2OS/c1-3-16-8-10(14)6-11(16)13(17)15-7-12-9(2)4-5-18-12/h4-6,8H,3,7H2,1-2H3,(H,15,17)
InChIKeyXZETZARBOOJINM-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.57
Rot. Bonds4

About 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide

4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide (PubChem CID 78990952) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide
PubChem CID78990952
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCc1sccc1C
InChIInChI=1S/C13H15BrN2OS/c1-3-16-8-10(14)6-11(16)13(17)15-7-12-9(2)4-5-18-12/h4-6,8H,3,7H2,1-2H3,(H,15,17)
InChIKeyXZETZARBOOJINM-UHFFFAOYSA-N
XLogP3.57
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-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

4-bromo-1-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrole-2-carboxamide
CID 54902024
5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 79012096
4-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 43639565
4-bromo-1-ethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 62727673
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 38006616
4-bromo-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 55137906
4-bromo-1-ethyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
CID 62728987
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 60954775
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethylpyrrole-2-carboxamide
CID 78916943
5-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092573
4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide
CID 54877612

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide (CID 78990952) is 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NCc1sccc1C.
What is the InChIKey of 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is XZETZARBOOJINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-3-16-8-10(14)6-11(16)13(17)15-7-12-9(2)4-5-18-12/h4-6,8H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 327.25 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 78990952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).