4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide

C19H18N2O3S — CID 101458711

IUPAC4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-13-21(25(22,23)17-11-9-15(2)10-12-17)19-14-18(20-24-19)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3
InChIKeyAAZRIVUAGXEWHN-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.03
Rot. Bonds6

About 4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide

4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 101458711) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide
PubChem CID101458711
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-13-21(25(22,23)17-11-9-15(2)10-12-17)19-14-18(20-24-19)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3
InChIKeyAAZRIVUAGXEWHN-UHFFFAOYSA-N
XLogP4.03
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide (CID 101458711) is 4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide is C=CCN(c1cc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is AAZRIVUAGXEWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-3-13-21(25(22,23)17-11-9-15(2)10-12-17)19-14-18(20-24-19)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3.
What are the key properties of 4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide?
4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 101458711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).