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

C14H21BrN2OS — CID 119034216

IUPAC3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCN(CC1CCCN1CC)C(=O)c1sccc1Br
InChIInChI=1S/C14H21BrN2OS/c1-3-16-8-5-6-11(16)10-17(4-2)14(18)13-12(15)7-9-19-13/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyMIJSEGVKPDUKBT-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.46
Rot. Bonds5

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

3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 119034216) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID119034216
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCN(CC1CCCN1CC)C(=O)c1sccc1Br
InChIInChI=1S/C14H21BrN2OS/c1-3-16-8-5-6-11(16)10-17(4-2)14(18)13-12(15)7-9-19-13/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyMIJSEGVKPDUKBT-UHFFFAOYSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 63086030
1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43795192
(3-bromothiophen-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261291
N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
CID 103102639
3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102978871
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 60777066
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
CID 60619670
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
1-[2-(dimethylamino)ethyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 102558441
6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 103890012
1-(4-bromophenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propan-1-one
CID 79310497

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide (CID 119034216) is 3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide is CCN(CC1CCCN1CC)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is MIJSEGVKPDUKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-3-16-8-5-6-11(16)10-17(4-2)14(18)13-12(15)7-9-19-13/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide?
3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 119034216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).