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

C19H24N2O6S — CID 7618936

IUPAC3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
SMILESCOc1cccc(CNS(=O)(=O)CCNC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H24N2O6S/c1-25-16-6-4-5-14(11-16)13-21-28(23,24)10-9-20-19(22)15-7-8-17(26-2)18(12-15)27-3/h4-8,11-12,21H,9-10,13H2,1-3H3,(H,20,22)
InChIKeyLWKIKMBIPFTCDL-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.56
Rot. Bonds10

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

3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide (PubChem CID 7618936) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
PubChem CID7618936
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
SMILESCOc1cccc(CNS(=O)(=O)CCNC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H24N2O6S/c1-25-16-6-4-5-14(11-16)13-21-28(23,24)10-9-20-19(22)15-7-8-17(26-2)18(12-15)27-3/h4-8,11-12,21H,9-10,13H2,1-3H3,(H,20,22)
InChIKeyLWKIKMBIPFTCDL-UHFFFAOYSA-N
XLogP1.56
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.56
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
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
CID 7618911
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 7618935
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
CID 7618819
2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
CID 7618004
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide (CID 7618936) is 3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide is COc1cccc(CNS(=O)(=O)CCNC(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide?
The InChIKey is LWKIKMBIPFTCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-25-16-6-4-5-14(11-16)13-21-28(23,24)10-9-20-19(22)15-7-8-17(26-2)18(12-15)27-3/h4-8,11-12,21H,9-10,13H2,1-3H3,(H,20,22).
What are the key properties of 3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide?
3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 1.56, 10 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-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide is sourced from PubChem (CID 7618936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).