N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide

C25H26N2O6S — CID 55953201

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H26N2O6S/c1-3-20(18-10-13-23-24(16-18)33-15-14-32-23)26-25(28)17-8-11-19(12-9-17)34(29,30)27-21-6-4-5-7-22(21)31-2/h4-13,16,20,27H,3,14-15H2,1-2H3,(H,26,28)
InChIKeyVJGJNTZMXQYANY-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.15
Rot. Bonds8

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 55953201) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID55953201
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H26N2O6S/c1-3-20(18-10-13-23-24(16-18)33-15-14-32-23)26-25(28)17-8-11-19(12-9-17)34(29,30)27-21-6-4-5-7-22(21)31-2/h4-13,16,20,27H,3,14-15H2,1-2H3,(H,26,28)
InChIKeyVJGJNTZMXQYANY-UHFFFAOYSA-N
XLogP4.15
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55907467
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 93070562
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55483987
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide
CID 60538347
4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide
CID 55909030
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 100548932
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 100548940
4-[(2-methoxyphenyl)sulfamoyl]-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43062290
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55953457
4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 95282978

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 55953201) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide is CCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is VJGJNTZMXQYANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-3-20(18-10-13-23-24(16-18)33-15-14-32-23)26-25(28)17-8-11-19(12-9-17)34(29,30)27-21-6-4-5-7-22(21)31-2/h4-13,16,20,27H,3,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 482.56 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55953201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).