N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide

C21H30N2O3S — CID 46560441

IUPACN-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H30N2O3S/c1-3-22-27(25,26)19-6-4-5-18(10-19)20(24)23-14(2)21-11-15-7-16(12-21)9-17(8-15)13-21/h4-6,10,14-17,22H,3,7-9,11-13H2,1-2H3,(H,23,24)
InChIKeyHJGBQXXXVKKFQM-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.32
Rot. Bonds6

About N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide

N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide (PubChem CID 46560441) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide
PubChem CID46560441
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H30N2O3S/c1-3-22-27(25,26)19-6-4-5-18(10-19)20(24)23-14(2)21-11-15-7-16(12-21)9-17(8-15)13-21/h4-6,10,14-17,22H,3,7-9,11-13H2,1-2H3,(H,23,24)
InChIKeyHJGBQXXXVKKFQM-UHFFFAOYSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7929606
N-[1-(1-adamantyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 42989962
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate
CID 98398450
N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43011512
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide
CID 46557695
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707
N-[(1S)-1-(1-adamantyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 7689154
N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26878695
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
CID 3958773
3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46449405

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide (CID 46560441) is N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide?
The InChIKey is HJGBQXXXVKKFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-3-22-27(25,26)19-6-4-5-18(10-19)20(24)23-14(2)21-11-15-7-16(12-21)9-17(8-15)13-21/h4-6,10,14-17,22H,3,7-9,11-13H2,1-2H3,(H,23,24).
What are the key properties of N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide?
N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide has a molecular weight of 390.55 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 46560441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).