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

C18H20N2O5S — CID 51177532

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H20N2O5S/c1-12(13-6-7-16-17(11-13)25-9-8-24-16)20-18(21)14-4-3-5-15(10-14)26(22,23)19-2/h3-7,10-12,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyVVWHLXFVOZPZRQ-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.86
Rot. Bonds5

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide (PubChem CID 51177532) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
PubChem CID51177532
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H20N2O5S/c1-12(13-6-7-16-17(11-13)25-9-8-24-16)20-18(21)14-4-3-5-15(10-14)26(22,23)19-2/h3-7,10-12,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyVVWHLXFVOZPZRQ-UHFFFAOYSA-N
XLogP1.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 94070209
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 92547331
N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 133231293
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 51177608
4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 95282978
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybenzamide
CID 18155824
methyl 3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]sulfamoyl]benzoate
CID 94612899
methyl 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylsulfamoyl]benzoate
CID 51335512
3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide
CID 133165204
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55483987
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(methanesulfonamido)benzamide
CID 55579514
3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46449027

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide (CID 51177532) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NC(C)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is VVWHLXFVOZPZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-12(13-6-7-16-17(11-13)25-9-8-24-16)20-18(21)14-4-3-5-15(10-14)26(22,23)19-2/h3-7,10-12,19H,8-9H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 376.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 51177532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).