N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

C23H32N2O4S — CID 5051760

IUPACN-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O4S/c1-16(23-13-17-10-18(14-23)12-19(11-17)15-23)24-22(26)20-2-4-21(5-3-20)30(27,28)25-6-8-29-9-7-25/h2-5,16-19H,6-15H2,1H3,(H,24,26)
InChIKeyNHGGPSZLCYDXJX-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.04
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 5051760) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID5051760
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O4S/c1-16(23-13-17-10-18(14-23)12-19(11-17)15-23)24-22(26)20-2-4-21(5-3-20)30(27,28)25-6-8-29-9-7-25/h2-5,16-19H,6-15H2,1H3,(H,24,26)
InChIKeyNHGGPSZLCYDXJX-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide
CID 2882558
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
N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43011512
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733
N-(dicyclopropylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 18146406
N-[(1R)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856521
N-[(1S)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856511
N-[(1S)-1-(1-adamantyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9283334
N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 4545371
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 5051760) is N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is CC(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NHGGPSZLCYDXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-16(23-13-17-10-18(14-23)12-19(11-17)15-23)24-22(26)20-2-4-21(5-3-20)30(27,28)25-6-8-29-9-7-25/h2-5,16-19H,6-15H2,1H3,(H,24,26).
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 432.59 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 5051760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).