N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide

C20H26N2O6S — CID 7618251

IUPACN-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O6S/c1-26-17-7-5-16(6-8-17)20(23)21-12-13-29(24,25)22-11-10-15-4-9-18(27-2)19(14-15)28-3/h4-9,14,22H,10-13H2,1-3H3,(H,21,23)
InChIKeyUGHMMIWSJIXLJP-UHFFFAOYSA-N
MW422.50 g/mol
LogP1.60
Rot. Bonds11

About N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide

N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide (PubChem CID 7618251) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
PubChem CID7618251
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O6S/c1-26-17-7-5-16(6-8-17)20(23)21-12-13-29(24,25)22-11-10-15-4-9-18(27-2)19(14-15)28-3/h4-9,14,22H,10-13H2,1-3H3,(H,21,23)
InChIKeyUGHMMIWSJIXLJP-UHFFFAOYSA-N
XLogP1.60
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 16832675
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423415
3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
CID 7618936
3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 7618935
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618197
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373626

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide (CID 7618251) is N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCS(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide?
The InChIKey is UGHMMIWSJIXLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-26-17-7-5-16(6-8-17)20(23)21-12-13-29(24,25)22-11-10-15-4-9-18(27-2)19(14-15)28-3/h4-9,14,22H,10-13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide?
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide has a molecular weight of 422.50 g/mol, XLogP of 1.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 7618251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).