4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

C25H26N2O6S — CID 55579375

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C25H26N2O6S/c1-17(21-6-4-5-7-22(21)31-3)27(2)25(28)18-8-10-19(11-9-18)26-34(29,30)20-12-13-23-24(16-20)33-15-14-32-23/h4-13,16-17,26H,14-15H2,1-3H3
InChIKeyMMGPNKWDWDILQZ-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.10
Rot. Bonds7

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 55579375) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID55579375
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C25H26N2O6S/c1-17(21-6-4-5-7-22(21)31-3)27(2)25(28)18-8-10-19(11-9-18)26-34(29,30)20-12-13-23-24(16-20)33-15-14-32-23/h4-13,16-17,26H,14-15H2,1-3H3
InChIKeyMMGPNKWDWDILQZ-UHFFFAOYSA-N
XLogP4.10
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55594079
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39687761
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 55580213
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46588331
N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 71467536
N-[4-(dimethylaminocarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9163812
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 46591499
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444
N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604226
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2273106
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(N-methylanilino)propyl]benzamide
CID 55721161

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (CID 55579375) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccccc1C(C)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is MMGPNKWDWDILQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-17(21-6-4-5-7-22(21)31-3)27(2)25(28)18-8-10-19(11-9-18)26-34(29,30)20-12-13-23-24(16-20)33-15-14-32-23/h4-13,16-17,26H,14-15H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 482.56 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 55579375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).