N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C20H20N2O5S — CID 2632905

IUPACN-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C20H20N2O5S/c1-14-9-10-15(20(23)21-13-16-6-5-11-27-16)12-19(14)28(24,25)22-17-7-3-4-8-18(17)26-2/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyQBXFDEGWOVDLFY-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.33
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 2632905) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID2632905
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C20H20N2O5S/c1-14-9-10-15(20(23)21-13-16-6-5-11-27-16)12-19(14)28(24,25)22-17-7-3-4-8-18(17)26-2/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyQBXFDEGWOVDLFY-UHFFFAOYSA-N
XLogP3.33
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 1251601
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 51170390
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55954729
N-(furan-2-ylmethyl)-3-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817531
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 96517593
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56544240
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364363

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 2632905) is N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is QBXFDEGWOVDLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-14-9-10-15(20(23)21-13-16-6-5-11-27-16)12-19(14)28(24,25)22-17-7-3-4-8-18(17)26-2/h3-12,22H,13H2,1-2H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 400.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 2632905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).