N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide

C24H24N2O5S — CID 17472987

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H24N2O5S/c1-2-26(20-6-4-3-5-7-20)32(28,29)21-11-9-19(10-12-21)24(27)25-17-18-8-13-22-23(16-18)31-15-14-30-22/h3-13,16H,2,14-15,17H2,1H3,(H,25,27)
InChIKeyXTLJBVHILJAUDK-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.60
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 17472987) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID17472987
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H24N2O5S/c1-2-26(20-6-4-3-5-7-20)32(28,29)21-11-9-19(10-12-21)24(27)25-17-18-8-13-22-23(16-18)31-15-14-30-22/h3-13,16H,2,14-15,17H2,1H3,(H,25,27)
InChIKeyXTLJBVHILJAUDK-UHFFFAOYSA-N
XLogP3.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide 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-ylmethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2477773
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-propan-2-ylsulfonylbenzamide
CID 46491168
4-[ethyl(phenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2093106
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 3912814
N-(2-acetamidoethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 9467905
4-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2364863
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
4-[[N-(benzenesulfonyl)anilino]methyl]-N-benzylbenzamide
CID 1100953
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 7927529
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903412

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 17472987) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is XTLJBVHILJAUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-2-26(20-6-4-3-5-7-20)32(28,29)21-11-9-19(10-12-21)24(27)25-17-18-8-13-22-23(16-18)31-15-14-30-22/h3-13,16H,2,14-15,17H2,1H3,(H,25,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 452.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 17472987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).