4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide

C19H18N2O5S — CID 11058138

IUPAC4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/C(=C\C(=O)N2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O5S/c1-14-7-9-16(10-8-14)27(24,25)20-17(15-5-3-2-4-6-15)13-18(22)21-11-12-26-19(21)23/h2-10,13,20H,11-12H2,1H3/b17-13-
InChIKeyJMDSFHCAWSSYNL-LGMDPLHJSA-N
MW386.43 g/mol
LogP2.29
Rot. Bonds5

About 4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide

4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide (PubChem CID 11058138) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide
PubChem CID11058138
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/C(=C\C(=O)N2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O5S/c1-14-7-9-16(10-8-14)27(24,25)20-17(15-5-3-2-4-6-15)13-18(22)21-11-12-26-19(21)23/h2-10,13,20H,11-12H2,1H3/b17-13-
InChIKeyJMDSFHCAWSSYNL-LGMDPLHJSA-N
XLogP2.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2E)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hepta-2,5,6-trienyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 101500974
(2Z)-N,N-diethyl-2-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-ylidene]acetamide
CID 101841708
4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
CID 102582929
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide
CID 47063048
N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide
CID 118538401
N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide;toluene
CID 142842362
4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide
CID 10992538
(E)-1-hydroxy-3-[(4-methylphenyl)sulfonylamino]-1-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylprop-1-ene-2-diazonium
CID 11080177
2-(2-Hydroxyethyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazol-3-one
CID 11132085
N-[(E)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide
CID 23628497
N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pent-3-enyl]benzenesulfonamide
CID 23628498
3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide
CID 55814263

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide (CID 11058138) is 4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/C(=C\C(=O)N2CCOC2=O)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide?
The InChIKey is JMDSFHCAWSSYNL-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-14-7-9-16(10-8-14)27(24,25)20-17(15-5-3-2-4-6-15)13-18(22)21-11-12-26-19(21)23/h2-10,13,20H,11-12H2,1H3/b17-13-.
What are the key properties of 4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide?
4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide has a molecular weight of 386.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 11058138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).