4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide

C20H19NO3S — CID 1269729

IUPAC4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CSCc3ccco3)cc2)cc1
InChIInChI=1S/C20H19NO3S/c1-23-18-10-8-17(9-11-18)21-20(22)16-6-4-15(5-7-16)13-25-14-19-3-2-12-24-19/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyOTMPHYXCHDOVHI-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.97
Rot. Bonds7

About 4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide

4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide (PubChem CID 1269729) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide
PubChem CID1269729
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CSCc3ccco3)cc2)cc1
InChIInChI=1S/C20H19NO3S/c1-23-18-10-8-17(9-11-18)21-20(22)16-6-4-15(5-7-16)13-25-14-19-3-2-12-24-19/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyOTMPHYXCHDOVHI-UHFFFAOYSA-N
XLogP4.97
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9333882
N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide
CID 6401122
N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 9458134
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
CID 86883709
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
CID 18113780
6-(furan-2-ylmethylamino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109117450
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-methoxyphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 1269728
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096
[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride
CID 141453398
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide (CID 1269729) is 4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(CSCc3ccco3)cc2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide?
The InChIKey is OTMPHYXCHDOVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-23-18-10-8-17(9-11-18)21-20(22)16-6-4-15(5-7-16)13-25-14-19-3-2-12-24-19/h2-12H,13-14H2,1H3,(H,21,22).
What are the key properties of 4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide?
4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide has a molecular weight of 353.44 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 1269729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).