1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide

C19H22N2O4S — CID 110367052

IUPAC1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCC2CN(c3ccccc3)C(=O)CO2)cc1
InChIInChI=1S/C19H22N2O4S/c1-15-7-9-16(10-8-15)14-26(23,24)20-11-18-12-21(19(22)13-25-18)17-5-3-2-4-6-17/h2-10,18,20H,11-14H2,1H3
InChIKeyUKJLITOLMHEZHH-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.85
Rot. Bonds6

About 1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide

1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide (PubChem CID 110367052) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide
PubChem CID110367052
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCC2CN(c3ccccc3)C(=O)CO2)cc1
InChIInChI=1S/C19H22N2O4S/c1-15-7-9-16(10-8-15)14-26(23,24)20-11-18-12-21(19(22)13-25-18)17-5-3-2-4-6-17/h2-10,18,20H,11-14H2,1H3
InChIKeyUKJLITOLMHEZHH-UHFFFAOYSA-N
XLogP1.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-1-phenylmethanesulfonamide
CID 110367994
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(4-methylphenyl)methanesulfonamide
CID 90635543
2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367262
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 110367989
3-acetyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110367066
1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide
CID 110710197
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide
CID 110328145
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367451
N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 110367829
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367598
5-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]thiophene-2-sulfonamide
CID 110367046
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110327915

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide (CID 110367052) is 1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NCC2CN(c3ccccc3)C(=O)CO2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide?
The InChIKey is UKJLITOLMHEZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15-7-9-16(10-8-15)14-26(23,24)20-11-18-12-21(19(22)13-25-18)17-5-3-2-4-6-17/h2-10,18,20H,11-14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide?
1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110367052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).