N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide

C26H22N2O5S — CID 18774828

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C26H22N2O5S/c29-26(27-16-19-7-12-24-25(13-19)33-17-32-24)14-18-5-9-22(10-6-18)28-34(30,31)23-11-8-20-3-1-2-4-21(20)15-23/h1-13,15,28H,14,16-17H2,(H,27,29)
InChIKeyLOYMBGMXGMUJDQ-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.23
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 18774828) has the molecular formula C26H22N2O5S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID18774828
Molecular FormulaC26H22N2O5S
Molecular Weight474.54 g/mol
Exact Mass474.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C26H22N2O5S/c29-26(27-16-19-7-12-24-25(13-19)33-17-32-24)14-18-5-9-22(10-6-18)28-34(30,31)23-11-8-20-3-1-2-4-21(20)15-23/h1-13,15,28H,14,16-17H2,(H,27,29)
InChIKeyLOYMBGMXGMUJDQ-UHFFFAOYSA-N
XLogP4.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254841
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 9261592
2-(1,3-benzodioxol-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 110767399
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyridine-3-carboxamide
CID 46345727
N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 2579514
N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
CID 4728241
N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27658939
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide
CID 26678252
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 24543744
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 1241923

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide (CID 18774828) is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide is O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is LOYMBGMXGMUJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5S/c29-26(27-16-19-7-12-24-25(13-19)33-17-32-24)14-18-5-9-22(10-6-18)28-34(30,31)23-11-8-20-3-1-2-4-21(20)15-23/h1-13,15,28H,14,16-17H2,(H,27,29).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 474.54 g/mol, XLogP of 4.23, 7 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-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 18774828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).