3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide

C15H17NO3S — CID 39045573

IUPAC3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCc2cccs2)ccc1OC
InChIInChI=1S/C15H17NO3S/c1-3-19-14-9-11(6-7-13(14)18-2)15(17)16-10-12-5-4-8-20-12/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyZYIPWMGQHBYSBD-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.09
Rot. Bonds6

About 3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide

3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 39045573) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID39045573
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCc2cccs2)ccc1OC
InChIInChI=1S/C15H17NO3S/c1-3-19-14-9-11(6-7-13(14)18-2)15(17)16-10-12-5-4-8-20-12/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyZYIPWMGQHBYSBD-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985463
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
3,4-diethoxy-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583545
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 8839619
2-[[(3-ethoxy-4-methoxyanilino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044842
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 39045573) is 3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is CCOc1cc(C(=O)NCc2cccs2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ZYIPWMGQHBYSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-19-14-9-11(6-7-13(14)18-2)15(17)16-10-12-5-4-8-20-12/h4-9H,3,10H2,1-2H3,(H,16,17).
What are the key properties of 3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 291.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 39045573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).