4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

C11H10Br2N2OS — CID 47389226

IUPAC4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H10Br2N2OS/c1-15(5-7-2-10(13)17-6-7)11(16)9-3-8(12)4-14-9/h2-4,6,14H,5H2,1H3
InChIKeyVWKAPEVGDQUTSN-UHFFFAOYSA-N
MW378.09 g/mol
LogP3.87
Rot. Bonds3

About 4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 47389226) has the molecular formula C11H10Br2N2OS and a molecular weight of 378.09 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID47389226
Molecular FormulaC11H10Br2N2OS
Molecular Weight378.09 g/mol
Exact Mass375.89
IUPAC Name4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H10Br2N2OS/c1-15(5-7-2-10(13)17-6-7)11(16)9-3-8(12)4-14-9/h2-4,6,14H,5H2,1H3
InChIKeyVWKAPEVGDQUTSN-UHFFFAOYSA-N
XLogP3.87
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
CID 54984126
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 79380607
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571
4-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54878086
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54983860

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 47389226) is 4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is CN(Cc1csc(Br)c1)C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is VWKAPEVGDQUTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2OS/c1-15(5-7-2-10(13)17-6-7)11(16)9-3-8(12)4-14-9/h2-4,6,14H,5H2,1H3.
What are the key properties of 4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 378.09 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47389226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).