N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide

C18H20N2O5S — CID 110370751

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccccc1S(=O)(=O)NCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N2O5S/c1-13-4-2-3-5-17(13)26(22,23)19-9-8-18(21)20-14-6-7-15-16(12-14)25-11-10-24-15/h2-7,12,19H,8-11H2,1H3,(H,20,21)
InChIKeyKWPQWCSOXJFDGN-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.07
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide (PubChem CID 110370751) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
PubChem CID110370751
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccccc1S(=O)(=O)NCCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N2O5S/c1-13-4-2-3-5-17(13)26(22,23)19-9-8-18(21)20-14-6-7-15-16(12-14)25-11-10-24-15/h2-7,12,19H,8-11H2,1H3,(H,20,21)
InChIKeyKWPQWCSOXJFDGN-UHFFFAOYSA-N
XLogP2.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 8849984
3-(benzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17225952
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370561
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylanilino)propanamide
CID 109036236
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methylphenyl)propanamide
CID 109034407
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 27160887
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 8701867
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370453
4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-2-methylbenzamide
CID 56527363
2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 110789881
3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 109037137

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide (CID 110370751) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide is Cc1ccccc1S(=O)(=O)NCCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide?
The InChIKey is KWPQWCSOXJFDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13-4-2-3-5-17(13)26(22,23)19-9-8-18(21)20-14-6-7-15-16(12-14)25-11-10-24-15/h2-7,12,19H,8-11H2,1H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide has a molecular weight of 376.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 110370751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).