3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide

C19H17NO3S — CID 44535837

IUPAC3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)NCc2cccs2)c1Oc1ccccc1
InChIInChI=1S/C19H17NO3S/c1-22-17-11-5-10-16(18(17)23-14-7-3-2-4-8-14)19(21)20-13-15-9-6-12-24-15/h2-12H,13H2,1H3,(H,20,21)
InChIKeyYXGSFEHWCJVSDV-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.48
Rot. Bonds6

About 3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide

3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 44535837) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID44535837
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)NCc2cccs2)c1Oc1ccccc1
InChIInChI=1S/C19H17NO3S/c1-22-17-11-5-10-16(18(17)23-14-7-3-2-4-8-14)19(21)20-13-15-9-6-12-24-15/h2-12H,13H2,1H3,(H,20,21)
InChIKeyYXGSFEHWCJVSDV-UHFFFAOYSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-(2-Aminoethyl)-N-(4-(benzyloxy)-3-methoxybenzyl)thiophene-2-carboxamide
CID 11675630
AMTB hydrochloride
CID 16095383
N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
CID 16095384
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
Methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
CID 3382837
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4879883
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 18111967
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 2810548
N-[2-(3,4-diethoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 8106251

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide (CID 44535837) is 3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide is COc1cccc(C(=O)NCc2cccs2)c1Oc1ccccc1.
What is the InChIKey of 3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is YXGSFEHWCJVSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-22-17-11-5-10-16(18(17)23-14-7-3-2-4-8-14)19(21)20-13-15-9-6-12-24-15/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of 3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide?
3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 44535837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).