N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide

C19H24N2O5S — CID 110408855

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-21(2)27(23,24)17-7-5-6-15(12-17)19(22)20-11-10-14-8-9-16(25-3)13-18(14)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,20,22)
InChIKeyARSAZRQECLGMMN-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.93
Rot. Bonds8

About N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 110408855) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID110408855
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-21(2)27(23,24)17-7-5-6-15(12-17)19(22)20-11-10-14-8-9-16(25-3)13-18(14)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,20,22)
InChIKeyARSAZRQECLGMMN-UHFFFAOYSA-N
XLogP1.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide (CID 110408855) is N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide is COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is ARSAZRQECLGMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-21(2)27(23,24)17-7-5-6-15(12-17)19(22)20-11-10-14-8-9-16(25-3)13-18(14)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 110408855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).