4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide

C13H15BrN2OS — CID 79036710

IUPAC4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H15BrN2OS/c1-15(6-5-11-4-3-7-18-11)13(17)12-8-10(14)9-16(12)2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyFUNGUBODXJPZPR-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.16
Rot. Bonds4

About 4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide

4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide (PubChem CID 79036710) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
PubChem CID79036710
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H15BrN2OS/c1-15(6-5-11-4-3-7-18-11)13(17)12-8-10(14)9-16(12)2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyFUNGUBODXJPZPR-UHFFFAOYSA-N
XLogP3.16
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79494376
4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61394689
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60700789
4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 60702158
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63693703
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide
CID 27021573
4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79494740
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide (CID 79036710) is 4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide is CN(CCc1cccs1)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The InChIKey is FUNGUBODXJPZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-15(6-5-11-4-3-7-18-11)13(17)12-8-10(14)9-16(12)2/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide has a molecular weight of 327.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 79036710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).