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

C20H24N2O7S — CID 16832675

IUPACN-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CCNS(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C20H24N2O7S/c1-26-16-5-3-14(11-18(16)27-2)7-8-22-30(24,25)10-9-21-20(23)15-4-6-17-19(12-15)29-13-28-17/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,21,23)
InChIKeyJWFPHHBYGNCYTL-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.32
Rot. Bonds10

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

N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 16832675) has the molecular formula C20H24N2O7S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID16832675
Molecular FormulaC20H24N2O7S
Molecular Weight436.49 g/mol
Exact Mass436.13
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CCNS(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C20H24N2O7S/c1-26-16-5-3-14(11-18(16)27-2)7-8-22-30(24,25)10-9-21-20(23)15-4-6-17-19(12-15)29-13-28-17/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,21,23)
InChIKeyJWFPHHBYGNCYTL-UHFFFAOYSA-N
XLogP1.32
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423415
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113095660
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 18159614
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 7618935
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7619259
N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2291128

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 16832675) is N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(CCNS(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)cc1OC.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JWFPHHBYGNCYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S/c1-26-16-5-3-14(11-18(16)27-2)7-8-22-30(24,25)10-9-21-20(23)15-4-6-17-19(12-15)29-13-28-17/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 16832675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).