N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

C20H23ClN2O5S — CID 55464121

IUPACN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c1
InChIInChI=1S/C20H23ClN2O5S/c1-3-23-29(25,26)15-5-4-13(2)16(12-15)20(24)22-7-6-14-10-17(21)19-18(11-14)27-8-9-28-19/h4-5,10-12,23H,3,6-9H2,1-2H3,(H,22,24)
InChIKeySXEOGICSGSYYBS-UHFFFAOYSA-N
MW438.93 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 55464121) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID55464121
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c1
InChIInChI=1S/C20H23ClN2O5S/c1-3-23-29(25,26)15-5-4-13(2)16(12-15)20(24)22-7-6-14-10-17(21)19-18(11-14)27-8-9-28-19/h4-5,10-12,23H,3,6-9H2,1-2H3,(H,22,24)
InChIKeySXEOGICSGSYYBS-UHFFFAOYSA-N
XLogP2.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide 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-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
2,4-dichloro-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-fluorobenzamide
CID 24564127
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzamide
CID 18126425
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521678
3-bromo-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzenesulfonamide
CID 55464111
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55880013
5-chloro-7-[2-(dibutylsulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 55903242
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methylsulfinylbenzamide
CID 51284084

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 55464121) is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c1.
What is the InChIKey of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is SXEOGICSGSYYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-3-23-29(25,26)15-5-4-13(2)16(12-15)20(24)22-7-6-14-10-17(21)19-18(11-14)27-8-9-28-19/h4-5,10-12,23H,3,6-9H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 438.93 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 55464121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).