N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide

C20H28N2O3S — CID 26998920

IUPACN-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H28N2O3S/c1-21-26(24,25)18-5-3-4-17(9-18)19(23)22(2)13-20-10-14-6-15(11-20)8-16(7-14)12-20/h3-5,9,14-16,21H,6-8,10-13H2,1-2H3
InChIKeyUXQCSDWNHWLNKT-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.88
Rot. Bonds5

About N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide

N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide (PubChem CID 26998920) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide
PubChem CID26998920
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H28N2O3S/c1-21-26(24,25)18-5-3-4-17(9-18)19(23)22(2)13-20-10-14-6-15(11-20)8-16(7-14)12-20/h3-5,9,14-16,21H,6-8,10-13H2,1-2H3
InChIKeyUXQCSDWNHWLNKT-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26998902
N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
CID 37365014
N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 46415026
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9440801
N-methyl-3-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9219104
N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide
CID 26983030
N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26878695
N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide
CID 42951938
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 9320471
N-(1-adamantylmethyl)-4-(diethylaminomethyl)-N-methylbenzamide
CID 55649596
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide (CID 26998920) is N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide?
The InChIKey is UXQCSDWNHWLNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-21-26(24,25)18-5-3-4-17(9-18)19(23)22(2)13-20-10-14-6-15(11-20)8-16(7-14)12-20/h3-5,9,14-16,21H,6-8,10-13H2,1-2H3.
What are the key properties of N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide?
N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide has a molecular weight of 376.52 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 26998920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).