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

C13H15BrN2OS — CID 60698343

IUPAC4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H15BrN2OS/c1-3-16(9-11-5-4-6-18-11)13(17)12-7-10(14)8-15(12)2/h4-8H,3,9H2,1-2H3
InChIKeyXKTSEOUJCHUQMS-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.51
Rot. Bonds4

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

4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 60698343) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID60698343
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H15BrN2OS/c1-3-16(9-11-5-4-6-18-11)13(17)12-7-10(14)8-15(12)2/h4-8H,3,9H2,1-2H3
InChIKeyXKTSEOUJCHUQMS-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60700789
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
4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 32581945
4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55452972
4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide
CID 27021573
N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 131918159
4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79494376
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide
CID 63525471
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 60698343) is 4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is CCN(Cc1cccs1)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is XKTSEOUJCHUQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-3-16(9-11-5-4-6-18-11)13(17)12-7-10(14)8-15(12)2/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 327.25 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 60698343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).