2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate

C26H24N2O5S — CID 19258628

IUPAC2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate
SMILESCC(C)COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C26H24N2O5S/c1-18(2)17-32-26(29)21-8-12-22(13-9-21)28-34(30,31)23-14-10-20(11-15-23)25-27-16-24(33-25)19-6-4-3-5-7-19/h3-16,18,28H,17H2,1-2H3
InChIKeyVKKFQZLCVILHIZ-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.62
Rot. Bonds8

About 2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate

2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate (PubChem CID 19258628) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is 2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Name2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate
PubChem CID19258628
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate
SMILESCC(C)COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C26H24N2O5S/c1-18(2)17-32-26(29)21-8-12-22(13-9-21)28-34(30,31)23-14-10-20(11-15-23)25-27-16-24(33-25)19-6-4-3-5-7-19/h3-16,18,28H,17H2,1-2H3
InChIKeyVKKFQZLCVILHIZ-UHFFFAOYSA-N
XLogP5.62
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzamide
CID 19258755
2-methylpropyl 4-(benzenesulfonamido)benzoate
CID 805921
N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258675
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate
CID 16595735
N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258693
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16588852
methyl 2-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-1,3-benzothiazole-6-carboxylate
CID 19258840
4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 19258749
N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258782
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258754
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate?
The IUPAC name of 2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate (CID 19258628) is 2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for 2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for 2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate is CC(C)COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of 2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate?
The InChIKey is VKKFQZLCVILHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-18(2)17-32-26(29)21-8-12-22(13-9-21)28-34(30,31)23-14-10-20(11-15-23)25-27-16-24(33-25)19-6-4-3-5-7-19/h3-16,18,28H,17H2,1-2H3.
What are the key properties of 2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate?
2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate has a molecular weight of 476.55 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 19258628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).