4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C25H23N3O5S — CID 141317866

IUPAC4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(CC(=O)c3ccc(O)cc3)c3ccccc3)cc2)no1
InChIInChI=1S/C25H23N3O5S/c1-17-15-25(27-33-17)28-34(31,32)22-13-9-20(10-14-22)26-23(18-5-3-2-4-6-18)16-24(30)19-7-11-21(29)12-8-19/h2-15,23,26,29H,16H2,1H3,(H,27,28)
InChIKeyJVUQHIYGFKFRBV-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.92
Rot. Bonds9

About 4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 141317866) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID141317866
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(CC(=O)c3ccc(O)cc3)c3ccccc3)cc2)no1
InChIInChI=1S/C25H23N3O5S/c1-17-15-25(27-33-17)28-34(31,32)22-13-9-20(10-14-22)26-23(18-5-3-2-4-6-18)16-24(30)19-7-11-21(29)12-8-19/h2-15,23,26,29H,16H2,1H3,(H,27,28)
InChIKeyJVUQHIYGFKFRBV-UHFFFAOYSA-N
XLogP4.92
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[3-(4-chlorophenyl)-1-(3-methylphenyl)-3-oxopropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 46872898
(3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid
CID 40583056
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
benzyl N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamate
CID 22215162
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 109061783
N-benzyl-N-methyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109060736
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060863
diethyl 2-[(S)-furan-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methyl]propanedioate
CID 167437404
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(2-phenylethoxy)benzamide
CID 4956376

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 141317866) is 4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(NC(CC(=O)c3ccc(O)cc3)c3ccccc3)cc2)no1.
What is the InChIKey of 4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is JVUQHIYGFKFRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-17-15-25(27-33-17)28-34(31,32)22-13-9-20(10-14-22)26-23(18-5-3-2-4-6-18)16-24(30)19-7-11-21(29)12-8-19/h2-15,23,26,29H,16H2,1H3,(H,27,28).
What are the key properties of 4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 477.54 g/mol, XLogP of 4.92, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-hydroxyphenyl)-3-oxo-1-phenylpropyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 141317866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).