N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide

C17H18N2O5S — CID 110674563

IUPACN-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H18N2O5S/c1-19(2)25(21,22)14-6-3-12(4-7-14)9-17(20)18-13-5-8-15-16(10-13)24-11-23-15/h3-8,10H,9,11H2,1-2H3,(H,18,20)
InChIKeyITMGFQHIZSJZFJ-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.85
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 110674563) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID110674563
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H18N2O5S/c1-19(2)25(21,22)14-6-3-12(4-7-14)9-17(20)18-13-5-8-15-16(10-13)24-11-23-15/h3-8,10H,9,11H2,1-2H3,(H,18,20)
InChIKeyITMGFQHIZSJZFJ-UHFFFAOYSA-N
XLogP1.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2518924
N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 2579514
N-(1,3-benzodioxol-5-yl)-3-[(4-ethylphenyl)sulfonylamino]propanamide
CID 110370654
N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
CID 27648509
N-(1,3-benzodioxol-5-yl)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 2355278
2-(3,4-dimethylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672838
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 18076854
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26899144
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2200896

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 110674563) is N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is ITMGFQHIZSJZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-19(2)25(21,22)14-6-3-12(4-7-14)9-17(20)18-13-5-8-15-16(10-13)24-11-23-15/h3-8,10H,9,11H2,1-2H3,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 362.41 g/mol, XLogP of 1.85, 5 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)-2-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 110674563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).