2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide

C19H17NO3S — CID 17405425

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2SCc2ccco2)c1
InChIInChI=1S/C19H17NO3S/c1-22-15-7-4-6-14(12-15)20-19(21)17-9-2-3-10-18(17)24-13-16-8-5-11-23-16/h2-12H,13H2,1H3,(H,20,21)
InChIKeyGLNBOXXWEPRZTD-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.83
Rot. Bonds6

About 2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide

2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide (PubChem CID 17405425) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide
PubChem CID17405425
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2SCc2ccco2)c1
InChIInChI=1S/C19H17NO3S/c1-22-15-7-4-6-14(12-15)20-19(21)17-9-2-3-10-18(17)24-13-16-8-5-11-23-16/h2-12H,13H2,1H3,(H,20,21)
InChIKeyGLNBOXXWEPRZTD-UHFFFAOYSA-N
XLogP4.83
TPSA51.47 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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate
CID 55323062
1-(furan-2-yl)-3-(3-methoxyphenyl)urea
CID 108868447
1-[1-(furan-2-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 47172007
2-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 1133386
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
N-(2-chloro-4-fluorophenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 29175162
5-(furan-2-yl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 71690130
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26915197
1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 3853126
2-benzylsulfanyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 19062837

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide (CID 17405425) is 2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccccc2SCc2ccco2)c1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide?
The InChIKey is GLNBOXXWEPRZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-22-15-7-4-6-14(12-15)20-19(21)17-9-2-3-10-18(17)24-13-16-8-5-11-23-16/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide?
2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 17405425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).