3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide

C16H18BrNO2S — CID 79460854

IUPAC3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H18BrNO2S/c1-12-5-6-13(10-15(12)17)16(19)18(7-8-20-2)11-14-4-3-9-21-14/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyTZLXOURDIXFHLZ-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.11
Rot. Bonds6

About 3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide

3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 79460854) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID79460854
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOCCN(Cc1cccs1)C(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H18BrNO2S/c1-12-5-6-13(10-15(12)17)16(19)18(7-8-20-2)11-14-4-3-9-21-14/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyTZLXOURDIXFHLZ-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
4-methoxy-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 17438424
4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60700789
2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 61112230
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 47021814
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3459642
N-(2-methoxyethyl)-3-nitro-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 18121936
4-(azepan-1-yl)-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 18121935
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 79460854) is 3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide is COCCN(Cc1cccs1)C(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is TZLXOURDIXFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-12-5-6-13(10-15(12)17)16(19)18(7-8-20-2)11-14-4-3-9-21-14/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 368.30 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 79460854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).