N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C23H32N2O4S — CID 26202942

IUPACN-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H32N2O4S/c1-16-2-3-20(11-21(16)30(27,28)25-4-6-29-7-5-25)22(26)24-15-23-12-17-8-18(13-23)10-19(9-17)14-23/h2-3,11,17-19H,4-10,12-15H2,1H3,(H,24,26)
InChIKeyOHUWYUPGBKXSBH-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.96
Rot. Bonds5

About N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 26202942) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID26202942
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H32N2O4S/c1-16-2-3-20(11-21(16)30(27,28)25-4-6-29-7-5-25)22(26)24-15-23-12-17-8-18(13-23)10-19(9-17)14-23/h2-3,11,17-19H,4-10,12-15H2,1H3,(H,24,26)
InChIKeyOHUWYUPGBKXSBH-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 38075450
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610870
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 4020681
N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60583878
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 27173584
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 41053021
4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9472673
N-(1-adamantyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 7732505

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 26202942) is N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OHUWYUPGBKXSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-16-2-3-20(11-21(16)30(27,28)25-4-6-29-7-5-25)22(26)24-15-23-12-17-8-18(13-23)10-19(9-17)14-23/h2-3,11,17-19H,4-10,12-15H2,1H3,(H,24,26).
What are the key properties of N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 432.59 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26202942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).