N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C26H28N2O4S — CID 26795823

IUPACN-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H28N2O4S/c1-20-12-13-23(18-25(20)33(30,31)28-14-16-32-17-15-28)26(29)27-19-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,24H,14-17,19H2,1H3,(H,27,29)
InChIKeyXBCGBESHUXWTFO-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.58
Rot. Bonds7

About N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 26795823) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID26795823
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC NameN-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H28N2O4S/c1-20-12-13-23(18-25(20)33(30,31)28-14-16-32-17-15-28)26(29)27-19-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,24H,14-17,19H2,1H3,(H,27,29)
InChIKeyXBCGBESHUXWTFO-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30399892
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 75857678
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 41053021
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
[2-oxo-2-(1-phenylethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16528946
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26202942
N-(1-benzylpiperidin-4-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24981031

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 26795823) is N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XBCGBESHUXWTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-20-12-13-23(18-25(20)33(30,31)28-14-16-32-17-15-28)26(29)27-19-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,24H,14-17,19H2,1H3,(H,27,29).
What are the key properties of N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 464.59 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26795823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).