N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C24H26N2O6S — CID 41189111

IUPACN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H26N2O6S/c1-16(2)23(18-7-10-21-22(14-18)32-13-12-31-21)26-24(27)17-5-8-20(9-6-17)33(28,29)25-15-19-4-3-11-30-19/h3-11,14,16,23,25H,12-13,15H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyWVAKIRWUCXXVKH-HSZRJFAPSA-N
MW470.55 g/mol
LogP3.66
Rot. Bonds8

About N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 41189111) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID41189111
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H26N2O6S/c1-16(2)23(18-7-10-21-22(14-18)32-13-12-31-21)26-24(27)17-5-8-20(9-6-17)33(28,29)25-15-19-4-3-11-30-19/h3-11,14,16,23,25H,12-13,15H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyWVAKIRWUCXXVKH-HSZRJFAPSA-N
XLogP3.66
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide with MolForge

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Related Compounds

[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526918
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 18198331
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 42969030
4-(furan-2-ylmethylsulfamoyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709322
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7669638
4-(acetamidomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 18086663
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylsulfanylbenzamide
CID 9258458
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55347369
4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31443585
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55439968
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 41189111) is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is WVAKIRWUCXXVKH-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-16(2)23(18-7-10-21-22(14-18)32-13-12-31-21)26-24(27)17-5-8-20(9-6-17)33(28,29)25-15-19-4-3-11-30-19/h3-11,14,16,23,25H,12-13,15H2,1-2H3,(H,26,27)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 470.55 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 41189111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).