3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide

C20H21N3O5S — CID 55814263

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(C=CC(=O)NCc2cccc(N3CCOC3=O)c2)cc1
InChIInChI=1S/C20H21N3O5S/c1-21-29(26,27)18-8-5-15(6-9-18)7-10-19(24)22-14-16-3-2-4-17(13-16)23-11-12-28-20(23)25/h2-10,13,21H,11-12,14H2,1H3,(H,22,24)
InChIKeyPIRZAWXUVAXLAO-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.88
Rot. Bonds7

About 3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide

3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide (PubChem CID 55814263) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide
PubChem CID55814263
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(C=CC(=O)NCc2cccc(N3CCOC3=O)c2)cc1
InChIInChI=1S/C20H21N3O5S/c1-21-29(26,27)18-8-5-15(6-9-18)7-10-19(24)22-14-16-3-2-4-17(13-16)23-11-12-28-20(23)25/h2-10,13,21H,11-12,14H2,1H3,(H,22,24)
InChIKeyPIRZAWXUVAXLAO-UHFFFAOYSA-N
XLogP1.88
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3882778
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 2318822
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2320101
(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780
2-[(4-Methylphenyl)sulfonylamino]acetic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
CID 2347404
[2-oxo-2-(4-sulfamoylanilino)ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2387412
N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 2985803
1-(3-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2985943
Ethyl 2-(N-benzyl4-acetamidobenzenesulfonamido)acetate
CID 3239570
4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4255564

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide (CID 55814263) is 3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide is CNS(=O)(=O)c1ccc(C=CC(=O)NCc2cccc(N3CCOC3=O)c2)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide?
The InChIKey is PIRZAWXUVAXLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-21-29(26,27)18-8-5-15(6-9-18)7-10-19(24)22-14-16-3-2-4-17(13-16)23-11-12-28-20(23)25/h2-10,13,21H,11-12,14H2,1H3,(H,22,24).
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide?
3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide has a molecular weight of 415.47 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 55814263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).