5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide

C15H23BrN2OS — CID 106612185

IUPAC5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C15H23BrN2OS/c1-3-4-8-18(10-12-6-5-7-17-12)15(19)13-9-11(2)14(16)20-13/h9,12,17H,3-8,10H2,1-2H3
InChIKeyAFBCILBBUMYAPQ-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.81
Rot. Bonds6

About 5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide

5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 106612185) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is 5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID106612185
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC Name5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C15H23BrN2OS/c1-3-4-8-18(10-12-6-5-7-17-12)15(19)13-9-11(2)14(16)20-13/h9,12,17H,3-8,10H2,1-2H3
InChIKeyAFBCILBBUMYAPQ-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127
N-butyl-2-hydroxy-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 106611964
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106612024
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
5-bromo-4-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiophene-2-carboxamide
CID 104955216
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106612141
2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611910
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 107520350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide (CID 106612185) is 5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide is CCCCN(CC1CCCN1)C(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is AFBCILBBUMYAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-3-4-8-18(10-12-6-5-7-17-12)15(19)13-9-11(2)14(16)20-13/h9,12,17H,3-8,10H2,1-2H3.
What are the key properties of 5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide?
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 106612185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).