3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

C12H12BrNOS2 — CID 79036876

IUPAC3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1sccc1Br
InChIInChI=1S/C12H12BrNOS2/c1-14(6-4-9-3-2-7-16-9)12(15)11-10(13)5-8-17-11/h2-3,5,7-8H,4,6H2,1H3
InChIKeyCKSWQOOAKGAUJN-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.89
Rot. Bonds4

About 3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 79036876) has the molecular formula C12H12BrNOS2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID79036876
Molecular FormulaC12H12BrNOS2
Molecular Weight330.27 g/mol
Exact Mass328.95
IUPAC Name3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1sccc1Br
InChIInChI=1S/C12H12BrNOS2/c1-14(6-4-9-3-2-7-16-9)12(15)11-10(13)5-8-17-11/h2-3,5,7-8H,4,6H2,1H3
InChIKeyCKSWQOOAKGAUJN-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79494740
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
2-bromo-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046945
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82829909
N-methyl-4-(methylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 79487638

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 79036876) is 3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is CN(CCc1cccs1)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is CKSWQOOAKGAUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS2/c1-14(6-4-9-3-2-7-16-9)12(15)11-10(13)5-8-17-11/h2-3,5,7-8H,4,6H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 330.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79036876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).