N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide

C18H20N2O5S — CID 110370518

IUPACN-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)CCCc1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O5S/c21-18(20-15-8-9-16-17(11-15)25-13-24-16)12-19-26(22,23)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,19H,4,7,10,12-13H2,(H,20,21)
InChIKeyMEGGRVOKLRDBJJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.91
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide (PubChem CID 110370518) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide
PubChem CID110370518
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)CCCc1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O5S/c21-18(20-15-8-9-16-17(11-15)25-13-24-16)12-19-26(22,23)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,19H,4,7,10,12-13H2,(H,20,21)
InChIKeyMEGGRVOKLRDBJJ-UHFFFAOYSA-N
XLogP1.91
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110370513
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(3-chlorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112997895
N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide
CID 2226482
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 110606353
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 1210774
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726
2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 120871773
2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide
CID 22300192

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide (CID 110370518) is N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide is O=C(CNS(=O)(=O)CCCc1ccccc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide?
The InChIKey is MEGGRVOKLRDBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c21-18(20-15-8-9-16-17(11-15)25-13-24-16)12-19-26(22,23)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,19H,4,7,10,12-13H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide has a molecular weight of 376.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(3-phenylpropylsulfonylamino)acetamide is sourced from PubChem (CID 110370518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).