N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide

C20H27N3O4S — CID 12861915

IUPACN-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(C(=O)NCCN(C)Cc2ccccc2)c1
InChIInChI=1S/C20H27N3O4S/c1-4-22-28(25,26)17-10-11-19(27-3)18(14-17)20(24)21-12-13-23(2)15-16-8-6-5-7-9-16/h5-11,14,22H,4,12-13,15H2,1-3H3,(H,21,24)
InChIKeyHGNJBPRJTAREBE-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.86
Rot. Bonds10

About N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide

N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide (PubChem CID 12861915) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
PubChem CID12861915
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(C(=O)NCCN(C)Cc2ccccc2)c1
InChIInChI=1S/C20H27N3O4S/c1-4-22-28(25,26)17-10-11-19(27-3)18(14-17)20(24)21-12-13-23(2)15-16-8-6-5-7-9-16/h5-11,14,22H,4,12-13,15H2,1-3H3,(H,21,24)
InChIKeyHGNJBPRJTAREBE-UHFFFAOYSA-N
XLogP1.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide (CID 12861915) is N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide is CCNS(=O)(=O)c1ccc(OC)c(C(=O)NCCN(C)Cc2ccccc2)c1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide?
The InChIKey is HGNJBPRJTAREBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-4-22-28(25,26)17-10-11-19(27-3)18(14-17)20(24)21-12-13-23(2)15-16-8-6-5-7-9-16/h5-11,14,22H,4,12-13,15H2,1-3H3,(H,21,24).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide?
N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide has a molecular weight of 405.52 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methoxybenzamide is sourced from PubChem (CID 12861915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).