N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide

C19H22N2O6S — CID 7423415

IUPACN-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CCNS(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O6S/c1-25-16-5-2-14(3-6-16)8-9-21-28(23,24)11-10-20-19(22)15-4-7-17-18(12-15)27-13-26-17/h2-7,12,21H,8-11,13H2,1H3,(H,20,22)
InChIKeyMJFYDQABDVCLGX-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.32
Rot. Bonds9

About N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7423415) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7423415
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CCNS(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O6S/c1-25-16-5-2-14(3-6-16)8-9-21-28(23,24)11-10-20-19(22)15-4-7-17-18(12-15)27-13-26-17/h2-7,12,21H,8-11,13H2,1H3,(H,20,22)
InChIKeyMJFYDQABDVCLGX-UHFFFAOYSA-N
XLogP1.32
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 16832675
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1,3-benzodioxole-5-carboxamide
CID 18582856
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113055037
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2556909
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110606554
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113095660
N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7619259
N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide
CID 110288459
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 7423415) is N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(CCNS(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MJFYDQABDVCLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-25-16-5-2-14(3-6-16)8-9-21-28(23,24)11-10-20-19(22)15-4-7-17-18(12-15)27-13-26-17/h2-7,12,21H,8-11,13H2,1H3,(H,20,22).
What are the key properties of N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7423415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).