N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide

C19H21ClN2O6S — CID 2207997

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1
InChIInChI=1S/C19H21ClN2O6S/c1-12(2)9-21-29(24,25)14-4-6-16(15(20)8-14)26-10-19(23)22-13-3-5-17-18(7-13)28-11-27-17/h3-8,12,21H,9-11H2,1-2H3,(H,22,23)
InChIKeyRPRYZFYPNNAYIX-UHFFFAOYSA-N
MW440.91 g/mol
LogP3.02
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide (PubChem CID 2207997) has the molecular formula C19H21ClN2O6S and a molecular weight of 440.91 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
PubChem CID2207997
Molecular FormulaC19H21ClN2O6S
Molecular Weight440.91 g/mol
Exact Mass440.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1
InChIInChI=1S/C19H21ClN2O6S/c1-12(2)9-21-29(24,25)14-4-6-16(15(20)8-14)26-10-19(23)22-13-3-5-17-18(7-13)28-11-27-17/h3-8,12,21H,9-11H2,1-2H3,(H,22,23)
InChIKeyRPRYZFYPNNAYIX-UHFFFAOYSA-N
XLogP3.02
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenoxy)acetamide
CID 870495
N-1,3-benzodioxol-5-yl-2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide
CID 1252334
N-1,3-benzodioxol-5-yl-2-{2-chloro-4-[(isopropylamino)sulfonyl]phenoxy}acetamide
CID 2223900
N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 3156714
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 24979797
N-1,3-benzodioxol-5-yl-2-{4-[(isopropylamino)sulfonyl]phenoxy}acetamide
CID 1082980
N-1,3-benzodioxol-5-yl-2-{2-chloro-4-[(cyclohexylamino)sulfonyl]phenoxy}acetamide
CID 1254809
Methyl {4-[(1,3-benzodioxol-5-ylamino)sulfonyl]-2-chlorophenoxy}acetate
CID 2210899
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2490436
N-Benzo[1,3]dioxol-5-yl-2-(4-sec-butylsulfamoyl-phenoxy)-acetamide
CID 3155662
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 4559159
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2999980

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide (CID 2207997) is N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide is CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The InChIKey is RPRYZFYPNNAYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S/c1-12(2)9-21-29(24,25)14-4-6-16(15(20)8-14)26-10-19(23)22-13-3-5-17-18(7-13)28-11-27-17/h3-8,12,21H,9-11H2,1-2H3,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide has a molecular weight of 440.91 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 2207997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).