4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

C21H22N2O5S — CID 4794636

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H22N2O5S/c1-23(15-17-6-3-4-8-20(17)27-2)21(24)16-9-11-19(12-10-16)29(25,26)22-14-18-7-5-13-28-18/h3-13,22H,14-15H2,1-2H3
InChIKeySXCYZANGBKBTNE-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.04
Rot. Bonds8

About 4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 4794636) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID4794636
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H22N2O5S/c1-23(15-17-6-3-4-8-20(17)27-2)21(24)16-9-11-19(12-10-16)29(25,26)22-14-18-7-5-13-28-18/h3-13,22H,14-15H2,1-2H3
InChIKeySXCYZANGBKBTNE-UHFFFAOYSA-N
XLogP3.04
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
CID 24544466
4-(furan-2-ylmethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547189
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 2555092
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 15999681
4-(ethylsulfamoyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 9469873
N-(furan-2-ylmethyl)-2-[[N-[(2-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]acetamide
CID 111281997
N-[5-(furan-2-ylmethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 2991258
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 132611212
N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38253066
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55550260
N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 47083523
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 4794636) is 4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is SXCYZANGBKBTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-23(15-17-6-3-4-8-20(17)27-2)21(24)16-9-11-19(12-10-16)29(25,26)22-14-18-7-5-13-28-18/h3-13,22H,14-15H2,1-2H3.
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 414.48 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 4794636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).