5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide

C12H17BrN2OS — CID 61077226

IUPAC5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
SMILESCCN1CCC(CNC(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C12H17BrN2OS/c1-2-15-6-5-9(8-15)7-14-12(16)10-3-4-11(13)17-10/h3-4,9H,2,5-8H2,1H3,(H,14,16)
InChIKeyGDJZFPJGNVSWMZ-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.58
Rot. Bonds4

About 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide

5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 61077226) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID61077226
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
SMILESCCN1CCC(CNC(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C12H17BrN2OS/c1-2-15-6-5-9(8-15)7-14-12(16)10-3-4-11(13)17-10/h3-4,9H,2,5-8H2,1H3,(H,14,16)
InChIKeyGDJZFPJGNVSWMZ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
5-bromo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 35201071
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid
CID 129468254
5-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 17249869
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 62180742
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616088
3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide
CID 154779305
3-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzamide
CID 107872280

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide (CID 61077226) is 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide is CCN1CCC(CNC(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is GDJZFPJGNVSWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-2-15-6-5-9(8-15)7-14-12(16)10-3-4-11(13)17-10/h3-4,9H,2,5-8H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 61077226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).