(3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate

C26H24N2O6S — CID 24518829

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OCc3cc(C)no3)c2)cc1
InChIInChI=1S/C26H24N2O6S/c1-19-15-24(34-27-19)18-33-26(29)21-9-6-10-25(16-21)35(30,31)28(17-20-7-4-3-5-8-20)22-11-13-23(32-2)14-12-22/h3-16H,17-18H2,1-2H3
InChIKeyJWSVHNGKWMDHRU-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.74
Rot. Bonds9

About (3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate

(3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 24518829) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID24518829
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OCc3cc(C)no3)c2)cc1
InChIInChI=1S/C26H24N2O6S/c1-19-15-24(34-27-19)18-33-26(29)21-9-6-10-25(16-21)35(30,31)28(17-20-7-4-3-5-8-20)22-11-13-23(32-2)14-12-22/h3-16H,17-18H2,1-2H3
InChIKeyJWSVHNGKWMDHRU-UHFFFAOYSA-N
XLogP4.74
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,3-dimethyl-2-oxobutyl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 2598663
(1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 4802055
[2-(cyclopropylamino)-2-oxoethyl] 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 2598669
[(1R)-1-cyanoethyl] 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 2598645
[2-(diethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 40919367
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2574935
furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2683151
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 2610500
[2-(ethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 2610488
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
N-benzyl-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3682989

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate (CID 24518829) is (3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate is COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OCc3cc(C)no3)c2)cc1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is JWSVHNGKWMDHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-19-15-24(34-27-19)18-33-26(29)21-9-6-10-25(16-21)35(30,31)28(17-20-7-4-3-5-8-20)22-11-13-23(32-2)14-12-22/h3-16H,17-18H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 492.55 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 24518829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).