2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C24H24N2O5S — CID 126033961

IUPAC2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C24H24N2O5S/c1-17-7-6-10-21(18(17)2)26(32(28,29)20-8-4-3-5-9-20)16-24(27)25-19-11-12-22-23(15-19)31-14-13-30-22/h3-12,15H,13-14,16H2,1-2H3,(H,25,27)
InChIKeyCWXSIPRDHHXBHP-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.91
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 126033961) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID126033961
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C24H24N2O5S/c1-17-7-6-10-21(18(17)2)26(32(28,29)20-8-4-3-5-9-20)16-24(27)25-19-11-12-22-23(15-19)31-14-13-30-22/h3-12,15H,13-14,16H2,1-2H3,(H,25,27)
InChIKeyCWXSIPRDHHXBHP-UHFFFAOYSA-N
XLogP3.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1075763
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2176046
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 1318772
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(4-methoxyphenyl)acetamide
CID 1324420
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126122522
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126138604
2-[benzenesulfonyl(pyridin-4-yl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 17463450
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(3,4-dichlorophenyl)acetamide
CID 21371863
3-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 4789315
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-bromophenyl)acetamide
CID 30169165

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 126033961) is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is Cc1cccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is CWXSIPRDHHXBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-17-7-6-10-21(18(17)2)26(32(28,29)20-8-4-3-5-9-20)16-24(27)25-19-11-12-22-23(15-19)31-14-13-30-22/h3-12,15H,13-14,16H2,1-2H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 452.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 126033961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).