N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide

C17H17NO5S — CID 2226482

IUPACN-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO5S/c19-17(18-14-6-7-15-16(10-14)23-12-22-15)8-9-24(20,21)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,18,19)
InChIKeyDGVPGHRQVFIIRS-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.36
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide

N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide (PubChem CID 2226482) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide
PubChem CID2226482
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO5S/c19-17(18-14-6-7-15-16(10-14)23-12-22-15)8-9-24(20,21)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,18,19)
InChIKeyDGVPGHRQVFIIRS-UHFFFAOYSA-N
XLogP2.36
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
N-(1,3-benzodioxol-5-yl)-3-(benzylcarbamoylamino)propanamide
CID 35046151
N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 110370518
N-(1,3-benzodioxol-5-yl)-3-(N-methylsulfonylanilino)propanamide
CID 113141566
benzyl N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamate
CID 110370640
N-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide
CID 110342798
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-methylpropanediamide
CID 108946171
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide
CID 3242314
N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
CID 27648509
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide (CID 2226482) is N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide is O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide?
The InChIKey is DGVPGHRQVFIIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c19-17(18-14-6-7-15-16(10-14)23-12-22-15)8-9-24(20,21)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide?
N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide has a molecular weight of 347.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide is sourced from PubChem (CID 2226482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).