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

C11H10Br2N2OS — CID 30124717

IUPAC4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)c1cc(Br)c[nH]1
InChIInChI=1S/C11H10Br2N2OS/c12-7-5-9(15-6-7)11(16)14-4-3-8-1-2-10(13)17-8/h1-2,5-6,15H,3-4H2,(H,14,16)
InChIKeyUGZUTWWMXLKEPN-UHFFFAOYSA-N
MW378.09 g/mol
LogP3.57
Rot. Bonds4

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

4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 30124717) has the molecular formula C11H10Br2N2OS and a molecular weight of 378.09 g/mol. Its IUPAC name is 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID30124717
Molecular FormulaC11H10Br2N2OS
Molecular Weight378.09 g/mol
Exact Mass375.89
IUPAC Name4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)c1cc(Br)c[nH]1
InChIInChI=1S/C11H10Br2N2OS/c12-7-5-9(15-6-7)11(16)14-4-3-8-1-2-10(13)17-8/h1-2,5-6,15H,3-4H2,(H,14,16)
InChIKeyUGZUTWWMXLKEPN-UHFFFAOYSA-N
XLogP3.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 106033230
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 104694698
4-bromo-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 32979369
N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
N-[2-(5-bromothiophen-2-yl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 17471136
N-(4-amino-4-oxobutyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 47191038
N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide
CID 18154853
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 113228249
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
CID 103773107
2,4-diamino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 106033536
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
CID 114139345

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 30124717) is 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide is O=C(NCCc1ccc(Br)s1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UGZUTWWMXLKEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2OS/c12-7-5-9(15-6-7)11(16)14-4-3-8-1-2-10(13)17-8/h1-2,5-6,15H,3-4H2,(H,14,16).
What are the key properties of 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 378.09 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 30124717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).