4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide

C21H22N2O4S — CID 55680699

IUPAC4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1cc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H22N2O4S/c1-4-13-23(28(24,25)20-11-9-18(26-3)10-12-20)15-19-14-21(22-27-19)17-7-5-16(2)6-8-17/h4-12,14H,1,13,15H2,2-3H3
InChIKeyRPUQLNXLTMIBSO-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.04
Rot. Bonds8

About 4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide

4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 55680699) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID55680699
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1cc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H22N2O4S/c1-4-13-23(28(24,25)20-11-9-18(26-3)10-12-20)15-19-14-21(22-27-19)17-7-5-16(2)6-8-17/h4-12,14H,1,13,15H2,2-3H3
InChIKeyRPUQLNXLTMIBSO-UHFFFAOYSA-N
XLogP4.04
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 23608394
4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 17078760
4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide
CID 36546560
4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide
CID 101458711
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16580286
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
4-cyano-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 112844129
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 8874420
4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787907
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
N-benzyl-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-5-sulfonamide
CID 44513710
ethyl 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate
CID 11587455

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide (CID 55680699) is 4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide is C=CCN(Cc1cc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is RPUQLNXLTMIBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-4-13-23(28(24,25)20-11-9-18(26-3)10-12-20)15-19-14-21(22-27-19)17-7-5-16(2)6-8-17/h4-12,14H,1,13,15H2,2-3H3.
What are the key properties of 4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide?
4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 55680699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).