N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide

C23H22N2O7S — CID 1076329

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2OC)cc1
InChIInChI=1S/C23H22N2O7S/c1-29-17-8-10-18(11-9-17)33(27,28)25(19-5-3-4-6-20(19)30-2)14-23(26)24-16-7-12-21-22(13-16)32-15-31-21/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyDZVRRSULYRHJBB-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.27
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 1076329) has the molecular formula C23H22N2O7S and a molecular weight of 470.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID1076329
Molecular FormulaC23H22N2O7S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2OC)cc1
InChIInChI=1S/C23H22N2O7S/c1-29-17-8-10-18(11-9-17)33(27,28)25(19-5-3-4-6-20(19)30-2)14-23(26)24-16-7-12-21-22(13-16)32-15-31-21/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyDZVRRSULYRHJBB-UHFFFAOYSA-N
XLogP3.27
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 1076329) is N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2OC)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is DZVRRSULYRHJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O7S/c1-29-17-8-10-18(11-9-17)33(27,28)25(19-5-3-4-6-20(19)30-2)14-23(26)24-16-7-12-21-22(13-16)32-15-31-21/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 470.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1076329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).