N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide

C20H24N2O4S — CID 110367829

IUPACN-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide
SMILESCC(C)c1ccc(N2CC(CNS(=O)(=O)c3ccccc3)OCC2=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-15(2)16-8-10-17(11-9-16)22-13-18(26-14-20(22)23)12-21-27(24,25)19-6-4-3-5-7-19/h3-11,15,18,21H,12-14H2,1-2H3
InChIKeyVEXLSIJMMFZYDP-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.52
Rot. Bonds6

About N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide

N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide (PubChem CID 110367829) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide
PubChem CID110367829
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide
SMILESCC(C)c1ccc(N2CC(CNS(=O)(=O)c3ccccc3)OCC2=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-15(2)16-8-10-17(11-9-16)22-13-18(26-14-20(22)23)12-21-27(24,25)19-6-4-3-5-7-19/h3-11,15,18,21H,12-14H2,1-2H3
InChIKeyVEXLSIJMMFZYDP-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367451
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367598
3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110367066
4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367600
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzenesulfonamide
CID 110367909
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 110367989
5-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]thiophene-2-sulfonamide
CID 110367046
1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide
CID 110367052
2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367262
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide
CID 110367409
N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 110367798
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
CID 110367994

Frequently Asked Questions

What is the IUPAC name of N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide (CID 110367829) is N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide is CC(C)c1ccc(N2CC(CNS(=O)(=O)c3ccccc3)OCC2=O)cc1.
What is the InChIKey of N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide?
The InChIKey is VEXLSIJMMFZYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15(2)16-8-10-17(11-9-16)22-13-18(26-14-20(22)23)12-21-27(24,25)19-6-4-3-5-7-19/h3-11,15,18,21H,12-14H2,1-2H3.
What are the key properties of N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide?
N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110367829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).