4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C14H17BrN2O2S — CID 60700789

IUPAC4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCOCCN(Cc1cccs1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H17BrN2O2S/c1-16-9-11(15)8-13(16)14(18)17(5-6-19-2)10-12-4-3-7-20-12/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyMXDWYQRBQOYWDJ-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.14
Rot. Bonds6

About 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 60700789) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID60700789
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCOCCN(Cc1cccs1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H17BrN2O2S/c1-16-9-11(15)8-13(16)14(18)17(5-6-19-2)10-12-4-3-7-20-12/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyMXDWYQRBQOYWDJ-UHFFFAOYSA-N
XLogP3.14
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)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-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61394689
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 60955229
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61113371
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460854
4-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 63237164
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide
CID 27021573
2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 61112230
6-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46984721

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 60700789) is 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is COCCN(Cc1cccs1)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is MXDWYQRBQOYWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-16-9-11(15)8-13(16)14(18)17(5-6-19-2)10-12-4-3-7-20-12/h3-4,7-9H,5-6,10H2,1-2H3.
What are the key properties of 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 357.27 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 60700789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).