N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide

C21H21BrN2O5S — CID 24544466

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H21BrN2O5S/c1-24(14-16-12-17(22)7-10-20(16)28-2)21(25)15-5-8-19(9-6-15)30(26,27)23-13-18-4-3-11-29-18/h3-12,23H,13-14H2,1-2H3
InChIKeyKIABFDDJBZYELN-UHFFFAOYSA-N
MW493.38 g/mol
LogP3.80
Rot. Bonds8

About N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide

N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide (PubChem CID 24544466) has the molecular formula C21H21BrN2O5S and a molecular weight of 493.38 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
PubChem CID24544466
Molecular FormulaC21H21BrN2O5S
Molecular Weight493.38 g/mol
Exact Mass492.04
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H21BrN2O5S/c1-24(14-16-12-17(22)7-10-20(16)28-2)21(25)15-5-8-19(9-6-15)30(26,27)23-13-18-4-3-11-29-18/h3-12,23H,13-14H2,1-2H3
InChIKeyKIABFDDJBZYELN-UHFFFAOYSA-N
XLogP3.80
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 4794636
4-(furan-2-ylmethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547189
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 15999681
N-[5-(furan-2-ylmethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 2991258
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 2555092
4-(ethylsulfamoyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 9469873
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 39445497
2-[(4-acetamidophenyl)sulfonylamino]-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 4789994
4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 41277628
4-(furan-2-ylmethylsulfamoyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709322

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide (CID 24544466) is N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide is COc1ccc(Br)cc1CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide?
The InChIKey is KIABFDDJBZYELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O5S/c1-24(14-16-12-17(22)7-10-20(16)28-2)21(25)15-5-8-19(9-6-15)30(26,27)23-13-18-4-3-11-29-18/h3-12,23H,13-14H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide has a molecular weight of 493.38 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 24544466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).