3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide

C12H17BrN2OS — CID 106609503

IUPAC3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1sccc1Br
InChIInChI=1S/C12H17BrN2OS/c1-2-15(8-9-4-3-6-14-9)12(16)11-10(13)5-7-17-11/h5,7,9,14H,2-4,6,8H2,1H3
InChIKeyWBUOLUNODHRRKR-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.72
Rot. Bonds4

About 3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide

3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 106609503) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID106609503
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1sccc1Br
InChIInChI=1S/C12H17BrN2OS/c1-2-15(8-9-4-3-6-14-9)12(16)11-10(13)5-7-17-11/h5,7,9,14H,2-4,6,8H2,1H3
InChIKeyWBUOLUNODHRRKR-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
CID 119034216
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609044
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106611605
1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one
CID 116563615
3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720482

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide (CID 106609503) is 3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide is CCN(CC1CCCN1)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is WBUOLUNODHRRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-2-15(8-9-4-3-6-14-9)12(16)11-10(13)5-7-17-11/h5,7,9,14H,2-4,6,8H2,1H3.
What are the key properties of 3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 106609503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).