5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

C14H15BrN2O2S — CID 61074717

IUPAC5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2O2S/c1-19-9-8-17(10-11-4-2-3-7-16-11)14(18)12-5-6-13(15)20-12/h2-7H,8-10H2,1H3
InChIKeyBUUGANLNILYAIF-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.19
Rot. Bonds6

About 5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 61074717) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID61074717
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2O2S/c1-19-9-8-17(10-11-4-2-3-7-16-11)14(18)12-5-6-13(15)20-12/h2-7H,8-10H2,1H3
InChIKeyBUUGANLNILYAIF-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61244876
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 61073233
5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60528009
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 60955229
2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
5-iodo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
CID 78949460
4-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 61052509
6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052322

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (CID 61074717) is 5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is COCCN(Cc1ccccn1)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is BUUGANLNILYAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-19-9-8-17(10-11-4-2-3-7-16-11)14(18)12-5-6-13(15)20-12/h2-7H,8-10H2,1H3.
What are the key properties of 5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 355.26 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61074717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).