4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide

C24H23N3O6S — CID 3237020

IUPAC4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1
InChIInChI=1S/C24H23N3O6S/c1-16(28)27-20-7-9-21(10-8-20)34(30,31)26-14-17-2-5-19(6-3-17)24(29)25-13-18-4-11-22-23(12-18)33-15-32-22/h2-12,26H,13-15H2,1H3,(H,25,29)(H,27,28)
InChIKeyFZJVOKCCCKORGJ-UHFFFAOYSA-N
MW481.53 g/mol
LogP2.78
Rot. Bonds8

About 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide

4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide (PubChem CID 3237020) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide
PubChem CID3237020
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1
InChIInChI=1S/C24H23N3O6S/c1-16(28)27-20-7-9-21(10-8-20)34(30,31)26-14-17-2-5-19(6-3-17)24(29)25-13-18-4-11-22-23(12-18)33-15-32-22/h2-12,26H,13-15H2,1H3,(H,25,29)(H,27,28)
InChIKeyFZJVOKCCCKORGJ-UHFFFAOYSA-N
XLogP2.78
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide?
The IUPAC name of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide (CID 3237020) is 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide?
The canonical SMILES for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1.
What is the InChIKey of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide?
The InChIKey is FZJVOKCCCKORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-16(28)27-20-7-9-21(10-8-20)34(30,31)26-14-17-2-5-19(6-3-17)24(29)25-13-18-4-11-22-23(12-18)33-15-32-22/h2-12,26H,13-15H2,1H3,(H,25,29)(H,27,28).
What are the key properties of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide?
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide has a molecular weight of 481.53 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide is sourced from PubChem (CID 3237020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).