2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide

C23H22N2O7S — CID 1137961

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C23H22N2O7S/c1-29-17-9-10-19(21(13-17)30-2)25(33(27,28)18-6-4-3-5-7-18)14-23(26)24-16-8-11-20-22(12-16)32-15-31-20/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyYCTOGUZIZBMTRG-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.27
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide

2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 1137961) has the molecular formula C23H22N2O7S and a molecular weight of 470.50 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID1137961
Molecular FormulaC23H22N2O7S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C23H22N2O7S/c1-29-17-9-10-19(21(13-17)30-2)25(33(27,28)18-6-4-3-5-7-18)14-23(26)24-16-8-11-20-22(12-16)32-15-31-20/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyYCTOGUZIZBMTRG-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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Related Compounds

N-(2H-1,3-Benzodioxol-5-YL)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide
CID 2279484
N-Benzo[1,3]dioxol-5-yl-2-(methanesulfonyl-phenyl-amino)-acetamide
CID 645332
N-(1,3-benzodioxol-5-yl)-2-{3,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}acetamide
CID 986751
2-[Benzenesulfonyl-(4-fluoro-phenyl)-amino]-N-(2,4-dimethoxy-phenyl)-acetamide
CID 1000375
2-[Benzenesulfonyl-(3-methoxy-phenyl)-amino]-N-benzo[1,3]dioxol-5-yl-acetamide
CID 1000949
N-1,3-benzodioxol-5-yl-N~2~-(2-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
CID 1076329
N-Benzo[1,3]dioxol-5-yl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-acetamide
CID 1082964
2-[Benzenesulfonyl-(2-ethoxy-phenyl)-amino]-N-(2,4-dimethoxy-phenyl)-acetamide
CID 1120550
2-[Benzenesulfonyl-(2-ethoxy-phenyl)-amino]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 1120553
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 1138020
N-1,3-benzodioxol-5-yl-N~2~-(2-ethoxyphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 1143346
N-1,3-benzodioxol-5-yl-N~2~-[(2,5-dimethoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 1259914

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 1137961) is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide is COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is YCTOGUZIZBMTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O7S/c1-29-17-9-10-19(21(13-17)30-2)25(33(27,28)18-6-4-3-5-7-18)14-23(26)24-16-8-11-20-22(12-16)32-15-31-20/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)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 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 1137961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).