4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

C11H14Br2N2OS — CID 80537895

IUPAC4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)c(Br)s1)C1CCNC1
InChIInChI=1S/C11H14Br2N2OS/c1-2-15(7-3-4-14-6-7)11(16)9-5-8(12)10(13)17-9/h5,7,14H,2-4,6H2,1H3
InChIKeyLBDLZWXMXFXZTL-UHFFFAOYSA-N
MW382.12 g/mol
LogP3.10
Rot. Bonds3

About 4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (PubChem CID 80537895) has the molecular formula C11H14Br2N2OS and a molecular weight of 382.12 g/mol. Its IUPAC name is 4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
PubChem CID80537895
Molecular FormulaC11H14Br2N2OS
Molecular Weight382.12 g/mol
Exact Mass379.92
IUPAC Name4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)c(Br)s1)C1CCNC1
InChIInChI=1S/C11H14Br2N2OS/c1-2-15(7-3-4-14-6-7)11(16)9-5-8(12)10(13)17-9/h5,7,14H,2-4,6H2,1H3
InChIKeyLBDLZWXMXFXZTL-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 79990331
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 80537937
N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745714
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 63299732
N-(azepan-4-yl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 104974496
3-bromo-N-ethyl-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299650
N-ethyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 63299155
4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299472
4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80536544
N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 107971834
N-ethyl-2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 60807715
2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide
CID 107024073

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (CID 80537895) is 4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is CCN(C(=O)c1cc(Br)c(Br)s1)C1CCNC1.
What is the InChIKey of 4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The InChIKey is LBDLZWXMXFXZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2OS/c1-2-15(7-3-4-14-6-7)11(16)9-5-8(12)10(13)17-9/h5,7,14H,2-4,6H2,1H3.
What are the key properties of 4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide has a molecular weight of 382.12 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 80537895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).