5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide

C23H24N2O5S — CID 55638308

IUPAC5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide
SMILESCOc1cc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)ccc1O
InChIInChI=1S/C23H24N2O5S/c1-16-8-10-19(31(28,29)25-15-17-6-4-3-5-7-17)13-20(16)23(27)24-14-18-9-11-21(26)22(12-18)30-2/h3-13,25-26H,14-15H2,1-2H3,(H,24,27)
InChIKeyBACOOANPGCPTBL-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.12
Rot. Bonds8

About 5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide

5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide (PubChem CID 55638308) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide
PubChem CID55638308
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide
SMILESCOc1cc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)ccc1O
InChIInChI=1S/C23H24N2O5S/c1-16-8-10-19(31(28,29)25-15-17-6-4-3-5-7-17)13-20(16)23(27)24-14-18-9-11-21(26)22(12-18)30-2/h3-13,25-26H,14-15H2,1-2H3,(H,24,27)
InChIKeyBACOOANPGCPTBL-UHFFFAOYSA-N
XLogP3.12
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
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N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
N-benzyl-2-methoxy-5-sulfamoylbenzamide
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CID 27859379

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide (CID 55638308) is 5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide is COc1cc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)ccc1O.
What is the InChIKey of 5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide?
The InChIKey is BACOOANPGCPTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-16-8-10-19(31(28,29)25-15-17-6-4-3-5-7-17)13-20(16)23(27)24-14-18-9-11-21(26)22(12-18)30-2/h3-13,25-26H,14-15H2,1-2H3,(H,24,27).
What are the key properties of 5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide?
5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide has a molecular weight of 440.52 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 55638308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).