3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide

C16H18BrNO3S — CID 17473350

IUPAC3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCOc1cc(C(=O)NCCc2cccs2)cc(Br)c1OC
InChIInChI=1S/C16H18BrNO3S/c1-3-21-14-10-11(9-13(17)15(14)20-2)16(19)18-7-6-12-5-4-8-22-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyQNEWWADARLPYDR-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.89
Rot. Bonds7

About 3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide

3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 17473350) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID17473350
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCOc1cc(C(=O)NCCc2cccs2)cc(Br)c1OC
InChIInChI=1S/C16H18BrNO3S/c1-3-21-14-10-11(9-13(17)15(14)20-2)16(19)18-7-6-12-5-4-8-22-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyQNEWWADARLPYDR-UHFFFAOYSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 81090055
3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838012
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916792
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 134012934
(2-oxo-2-thiophen-2-ylethyl) 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7837377
(3-bromo-5-ethoxy-4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)azanium
CID 7315118
3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26732731

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide (CID 17473350) is 3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide is CCOc1cc(C(=O)NCCc2cccs2)cc(Br)c1OC.
What is the InChIKey of 3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is QNEWWADARLPYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-3-21-14-10-11(9-13(17)15(14)20-2)16(19)18-7-6-12-5-4-8-22-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide?
3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 384.30 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 17473350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).