2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide

C24H28N2O4S — CID 20860820

IUPAC2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide
SMILESCCC(Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C24H28N2O4S/c1-4-20(14-19-11-6-5-7-12-19)25-23(27)16-31(28,29)15-22-18(3)30-24(26-22)21-13-9-8-10-17(21)2/h5-13,20H,4,14-16H2,1-3H3,(H,25,27)
InChIKeyUTVCIATWUAHSDF-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.01
Rot. Bonds9

About 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide

2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide (PubChem CID 20860820) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide
PubChem CID20860820
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide
SMILESCCC(Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C24H28N2O4S/c1-4-20(14-19-11-6-5-7-12-19)25-23(27)16-31(28,29)15-22-18(3)30-24(26-22)21-13-9-8-10-17(21)2/h5-13,20H,4,14-16H2,1-3H3,(H,25,27)
InChIKeyUTVCIATWUAHSDF-UHFFFAOYSA-N
XLogP4.01
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide (CID 20860820) is 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide is CCC(Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C.
What is the InChIKey of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide?
The InChIKey is UTVCIATWUAHSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-4-20(14-19-11-6-5-7-12-19)25-23(27)16-31(28,29)15-22-18(3)30-24(26-22)21-13-9-8-10-17(21)2/h5-13,20H,4,14-16H2,1-3H3,(H,25,27).
What are the key properties of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide?
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide has a molecular weight of 440.57 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 20860820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).