N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide

C20H24N2O6S — CID 2975724

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O6S/c1-13(2)22-29(24,25)16-5-7-17(14(3)10-16)28-12-20(23)21-15-4-6-18-19(11-15)27-9-8-26-18/h4-7,10-11,13,22H,8-9,12H2,1-3H3,(H,21,23)
InChIKeyVZVBDMJFUDTENQ-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.47
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 2975724) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID2975724
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O6S/c1-13(2)22-29(24,25)16-5-7-17(14(3)10-16)28-12-20(23)21-15-4-6-18-19(11-15)27-9-8-26-18/h4-7,10-11,13,22H,8-9,12H2,1-3H3,(H,21,23)
InChIKeyVZVBDMJFUDTENQ-UHFFFAOYSA-N
XLogP2.47
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2227366
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2223900
N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4243991
N-(4-methoxyphenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 3961591
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate
CID 3890124
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395881
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 32511589
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1264182
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanamide
CID 35808455
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827
methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2230108

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 2975724) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide is Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is VZVBDMJFUDTENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-13(2)22-29(24,25)16-5-7-17(14(3)10-16)28-12-20(23)21-15-4-6-18-19(11-15)27-9-8-26-18/h4-7,10-11,13,22H,8-9,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 2975724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).