N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide

C22H32N2O3S — CID 26878695

IUPACN-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H32N2O3S/c1-15(2)24-28(26,27)20-5-3-4-19(11-20)21(25)23-7-6-22-12-16-8-17(13-22)10-18(9-16)14-22/h3-5,11,15-18,24H,6-10,12-14H2,1-2H3,(H,23,25)
InChIKeyVOQPUGIYJSDQEB-UHFFFAOYSA-N
MW404.58 g/mol
LogP3.71
Rot. Bonds7

About N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide

N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26878695) has the molecular formula C22H32N2O3S and a molecular weight of 404.58 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID26878695
Molecular FormulaC22H32N2O3S
Molecular Weight404.58 g/mol
Exact Mass404.21
IUPAC NameN-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H32N2O3S/c1-15(2)24-28(26,27)20-5-3-4-19(11-20)21(25)23-7-6-22-12-16-8-17(13-22)10-18(9-16)14-22/h3-5,11,15-18,24H,6-10,12-14H2,1-2H3,(H,23,25)
InChIKeyVOQPUGIYJSDQEB-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 4020681
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
CID 7751740
N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide
CID 18286681
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46461593
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 26878695) is N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is VOQPUGIYJSDQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3S/c1-15(2)24-28(26,27)20-5-3-4-19(11-20)21(25)23-7-6-22-12-16-8-17(13-22)10-18(9-16)14-22/h3-5,11,15-18,24H,6-10,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 404.58 g/mol, XLogP of 3.71, 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]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26878695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).