3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide

C24H32N2O6S — CID 55387829

IUPAC3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(c2ccc3c(c2)OCCO3)C(C)C)ccc1OC
InChIInChI=1S/C24H32N2O6S/c1-6-26(7-2)33(28,29)22-15-18(9-11-20(22)30-5)24(27)25-23(16(3)4)17-8-10-19-21(14-17)32-13-12-31-19/h8-11,14-16,23H,6-7,12-13H2,1-5H3,(H,25,27)
InChIKeyJKTIGQNCJLOWFA-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.62
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide

3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide (PubChem CID 55387829) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide
PubChem CID55387829
Molecular FormulaC24H32N2O6S
Molecular Weight476.60 g/mol
Exact Mass476.20
IUPAC Name3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(c2ccc3c(c2)OCCO3)C(C)C)ccc1OC
InChIInChI=1S/C24H32N2O6S/c1-6-26(7-2)33(28,29)22-15-18(9-11-20(22)30-5)24(27)25-23(16(3)4)17-8-10-19-21(14-17)32-13-12-31-19/h8-11,14-16,23H,6-7,12-13H2,1-5H3,(H,25,27)
InChIKeyJKTIGQNCJLOWFA-UHFFFAOYSA-N
XLogP3.62
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
4-(diethylsulfamoyl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 34141788
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7669638
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 18198331
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402509
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 18159614
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 55595903
3-(diethylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18162957
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylsulfanylbenzamide
CID 9258458
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3,5-difluorobenzamide
CID 9193516

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide (CID 55387829) is 3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC(c2ccc3c(c2)OCCO3)C(C)C)ccc1OC.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide?
The InChIKey is JKTIGQNCJLOWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6S/c1-6-26(7-2)33(28,29)22-15-18(9-11-20(22)30-5)24(27)25-23(16(3)4)17-8-10-19-21(14-17)32-13-12-31-19/h8-11,14-16,23H,6-7,12-13H2,1-5H3,(H,25,27).
What are the key properties of 3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide?
3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide has a molecular weight of 476.60 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide is sourced from PubChem (CID 55387829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).