N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide

C20H24N2O4S — CID 110644099

IUPACN-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(Cc3ccccc3)OCC2C)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-14-26-19(12-17-6-4-3-5-7-17)13-22(15)27(24,25)20-10-8-18(9-11-20)21-16(2)23/h3-11,15,19H,12-14H2,1-2H3,(H,21,23)
InChIKeyXBBPWGKLNHVRBY-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.67
Rot. Bonds5

About N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide

N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide (PubChem CID 110644099) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
PubChem CID110644099
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(Cc3ccccc3)OCC2C)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-14-26-19(12-17-6-4-3-5-7-17)13-22(15)27(24,25)20-10-8-18(9-11-20)21-16(2)23/h3-11,15,19H,12-14H2,1-2H3,(H,21,23)
InChIKeyXBBPWGKLNHVRBY-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
CID 110644106
2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
N-[4-(4-benzyl-3,5-dimethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 110657741
2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 110644115
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide
CID 24882129
2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
CID 110644079
(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone
CID 110643999
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide (CID 110644099) is N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC(Cc3ccccc3)OCC2C)cc1.
What is the InChIKey of N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide?
The InChIKey is XBBPWGKLNHVRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-14-26-19(12-17-6-4-3-5-7-17)13-22(15)27(24,25)20-10-8-18(9-11-20)21-16(2)23/h3-11,15,19H,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide?
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 110644099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).