3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide

C20H26N2O6S — CID 7618938

IUPAC3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
SMILESCOc1cccc(CCNS(=O)(=O)CCNC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O6S/c1-26-17-6-4-5-15(13-17)9-10-22-29(24,25)12-11-21-20(23)16-7-8-18(27-2)19(14-16)28-3/h4-8,13-14,22H,9-12H2,1-3H3,(H,21,23)
InChIKeyMSCAWIPQAZVKET-UHFFFAOYSA-N
MW422.50 g/mol
LogP1.60
Rot. Bonds11

About 3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide

3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide (PubChem CID 7618938) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
PubChem CID7618938
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
SMILESCOc1cccc(CCNS(=O)(=O)CCNC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O6S/c1-26-17-6-4-5-15(13-17)9-10-22-29(24,25)12-11-21-20(23)16-7-8-18(27-2)19(14-16)28-3/h4-8,13-14,22H,9-12H2,1-3H3,(H,21,23)
InChIKeyMSCAWIPQAZVKET-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-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
CID 7618936
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 16832675
3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 7618935
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
CID 7618004
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
CID 7618819
3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
CID 7618911
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide (CID 7618938) is 3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide is COc1cccc(CCNS(=O)(=O)CCNC(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide?
The InChIKey is MSCAWIPQAZVKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-26-17-6-4-5-15(13-17)9-10-22-29(24,25)12-11-21-20(23)16-7-8-18(27-2)19(14-16)28-3/h4-8,13-14,22H,9-12H2,1-3H3,(H,21,23).
What are the key properties of 3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide?
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide 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 3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide is sourced from PubChem (CID 7618938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).