N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

C22H32N2O3S — CID 46448735

IUPACN-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H32N2O3S/c1-3-24-28(26,27)19-5-4-15(2)20(11-19)21(25)23-7-6-22-12-16-8-17(13-22)10-18(9-16)14-22/h4-5,11,16-18,24H,3,6-10,12-14H2,1-2H3,(H,23,25)
InChIKeyWKLSJWWKVMXASZ-UHFFFAOYSA-N
MW404.58 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 46448735) has the molecular formula C22H32N2O3S and a molecular weight of 404.58 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID46448735
Molecular FormulaC22H32N2O3S
Molecular Weight404.58 g/mol
Exact Mass404.21
IUPAC NameN-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H32N2O3S/c1-3-24-28(26,27)19-5-4-15(2)20(11-19)21(25)23-7-6-22-12-16-8-17(13-22)10-18(9-16)14-22/h4-5,11,16-18,24H,3,6-10,12-14H2,1-2H3,(H,23,25)
InChIKeyWKLSJWWKVMXASZ-UHFFFAOYSA-N
XLogP3.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-[2-(1-adamantyl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26212163
N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide
CID 43008919
5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783242
N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26878695
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55621067

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 46448735) is N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is WKLSJWWKVMXASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3S/c1-3-24-28(26,27)19-5-4-15(2)20(11-19)21(25)23-7-6-22-12-16-8-17(13-22)10-18(9-16)14-22/h4-5,11,16-18,24H,3,6-10,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 404.58 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 46448735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).