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

C22H20N2O6S — CID 1138020

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N2O6S/c1-28-19-10-6-5-9-18(19)24(31(26,27)17-7-3-2-4-8-17)14-22(25)23-16-11-12-20-21(13-16)30-15-29-20/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyXFFJOHLHQIRZMK-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.26
Rot. Bonds7

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

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 1138020) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID1138020
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N2O6S/c1-28-19-10-6-5-9-18(19)24(31(26,27)17-7-3-2-4-8-17)14-22(25)23-16-11-12-20-21(13-16)30-15-29-20/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyXFFJOHLHQIRZMK-UHFFFAOYSA-N
XLogP3.26
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-Benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]urea
CID 2206548
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[methanesulfonyl-(2-methoxy-phenyl)-amino]-acetamide
CID 655700
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]propanamide
CID 1149625
N-(2H-1,3-Benzodioxol-5-YL)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide
CID 2279484
2-[(3,4-Dimethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-(2-ethoxy-phenyl)-acetamide
CID 1120614
N-Benzo[1,3]dioxol-5-yl-2-(methanesulfonyl-phenyl-amino)-acetamide
CID 645332
N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide
CID 649505
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[(2-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 654373
N-(1,3-benzodioxol-5-yl)-2-{3,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}acetamide
CID 986751
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

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 1138020) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide is COc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is XFFJOHLHQIRZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-28-19-10-6-5-9-18(19)24(31(26,27)17-7-3-2-4-8-17)14-22(25)23-16-11-12-20-21(13-16)30-15-29-20/h2-13H,14-15H2,1H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 440.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 1138020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).