N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide

C21H26N2O6S — CID 41170336

IUPACN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C21H26N2O6S/c1-14(13-27-3)23-30(25,26)18-7-4-16(5-8-18)21(24)22-15(2)17-6-9-19-20(12-17)29-11-10-28-19/h4-9,12,14-15,23H,10-11,13H2,1-3H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyVGPMUVOVDRIDQL-HUUCEWRRSA-N
MW434.51 g/mol
LogP2.26
Rot. Bonds8

About N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide (PubChem CID 41170336) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
PubChem CID41170336
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C21H26N2O6S/c1-14(13-27-3)23-30(25,26)18-7-4-16(5-8-18)21(24)22-15(2)17-6-9-19-20(12-17)29-11-10-28-19/h4-9,12,14-15,23H,10-11,13H2,1-3H3,(H,22,24)/t14-,15-/m1/s1
InChIKeyVGPMUVOVDRIDQL-HUUCEWRRSA-N
XLogP2.26
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218502
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218496
4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 95282978
4-bromo-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 6552812
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzamide
CID 27839938
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 9296974
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9367554
4-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 27839947
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
CID 51177532
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-prop-2-enoxybenzamide
CID 133230488
4-cyano-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 51177603
3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide
CID 133165204

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide (CID 41170336) is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide is COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The InChIKey is VGPMUVOVDRIDQL-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-14(13-27-3)23-30(25,26)18-7-4-16(5-8-18)21(24)22-15(2)17-6-9-19-20(12-17)29-11-10-28-19/h4-9,12,14-15,23H,10-11,13H2,1-3H3,(H,22,24)/t14-,15-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide has a molecular weight of 434.51 g/mol, XLogP of 2.26, 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)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 41170336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).