1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide

C18H20N2O4S — CID 110363643

IUPAC1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccc(N3CCOCC3=O)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-14-3-2-4-15(11-14)13-25(22,23)19-16-5-7-17(8-6-16)20-9-10-24-12-18(20)21/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeyCAGLVBBASHOGFA-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.30
Rot. Bonds5

About 1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide

1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide (PubChem CID 110363643) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide
PubChem CID110363643
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccc(N3CCOCC3=O)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-14-3-2-4-15(11-14)13-25(22,23)19-16-5-7-17(8-6-16)20-9-10-24-12-18(20)21/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeyCAGLVBBASHOGFA-UHFFFAOYSA-N
XLogP2.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 35014275
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 89659414
1-Phenylmethanesulfonyl-piperidine-4-carboxylic acid (4-morpholin-4-yl-phenyl)-amide
CID 644779
(E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide
CID 711393
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2320101
2-Oxo-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)ethyl 2-(2-phenylethenesulfonamido)acetate
CID 2472656
N-[4-(morpholin-4-yl)phenyl]-2-[4-(2-phenylethenesulfonyl)piperazin-1-yl]acetamide
CID 6216031
2-[(4-Morpholin-4-yl-phenylcarbamoyl)-methanesulfinyl]-N-(2,4,6-trimethyl-phenyl)-acetamide
CID 24793363
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-N-(oxetan-3-yl)-1-phenylmethanesulfonamide
CID 89659366
2-(4-Morpholinoanilino)-2-oxo-1-phenyl-ethanesulfonic acid
CID 124115156
N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-N-(3-methyloxetan-3-yl)-1-phenylmethanesulfonamide
CID 89659220
N-[[4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89659235

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide (CID 110363643) is 1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2ccc(N3CCOCC3=O)cc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide?
The InChIKey is CAGLVBBASHOGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-14-3-2-4-15(11-14)13-25(22,23)19-16-5-7-17(8-6-16)20-9-10-24-12-18(20)21/h2-8,11,19H,9-10,12-13H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide?
1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 110363643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).