N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide

C21H28N2O4S — CID 2882558

IUPACN-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O4S/c24-20(22-21-12-15-9-16(13-21)11-17(10-15)14-21)18-1-3-19(4-2-18)28(25,26)23-5-7-27-8-6-23/h1-4,15-17H,5-14H2,(H,22,24)
InChIKeyZQVQMSOVZSSFCE-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.41
Rot. Bonds4

About N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide

N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2882558) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2882558
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O4S/c24-20(22-21-12-15-9-16(13-21)11-17(10-15)14-21)18-1-3-19(4-2-18)28(25,26)23-5-7-27-8-6-23/h1-4,15-17H,5-14H2,(H,22,24)
InChIKeyZQVQMSOVZSSFCE-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 2927302
N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 5051760
N-(1-adamantyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 7732505
N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
CID 3585715
[4-(1-adamantyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 5141037
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
N-(dicyclopropylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 18146406
N-[4-[(5R,7R)-3-chloro-1-adamantyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 98390779
(2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-N-(1-adamantyl)propanamide
CID 38629004
N-(1-adamantyl)-4-(benzenesulfonyl)piperazine-1-carboxamide
CID 108896114
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide (CID 2882558) is N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZQVQMSOVZSSFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c24-20(22-21-12-15-9-16(13-21)11-17(10-15)14-21)18-1-3-19(4-2-18)28(25,26)23-5-7-27-8-6-23/h1-4,15-17H,5-14H2,(H,22,24).
What are the key properties of N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 404.53 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2882558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).