3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide

C19H20N2O5S — CID 110367066

IUPAC3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC2CN(c3ccccc3)C(=O)CO2)c1
InChIInChI=1S/C19H20N2O5S/c1-14(22)15-6-5-9-18(10-15)27(24,25)20-11-17-12-21(19(23)13-26-17)16-7-3-2-4-8-16/h2-10,17,20H,11-13H2,1H3
InChIKeyPHDMYTNGCWLCCU-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.60
Rot. Bonds6

About 3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide

3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 110367066) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID110367066
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC2CN(c3ccccc3)C(=O)CO2)c1
InChIInChI=1S/C19H20N2O5S/c1-14(22)15-6-5-9-18(10-15)27(24,25)20-11-17-12-21(19(23)13-26-17)16-7-3-2-4-8-16/h2-10,17,20H,11-13H2,1H3
InChIKeyPHDMYTNGCWLCCU-UHFFFAOYSA-N
XLogP1.60
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 110367829
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzenesulfonamide
CID 110367909
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide
CID 110367052
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
3-acetyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 90619999
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzenesulfonamide
CID 110367685
3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710191

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide (CID 110367066) is 3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCC2CN(c3ccccc3)C(=O)CO2)c1.
What is the InChIKey of 3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is PHDMYTNGCWLCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-14(22)15-6-5-9-18(10-15)27(24,25)20-11-17-12-21(19(23)13-26-17)16-7-3-2-4-8-16/h2-10,17,20H,11-13H2,1H3.
What are the key properties of 3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide?
3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110367066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).