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

C22H24N2O3S — CID 4194877

IUPACN-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCCc1cccc(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)c1
InChIInChI=1S/C22H24N2O3S/c1-4-17-6-5-7-19(12-17)23-21(25)14-28(26)13-20-16(3)27-22(24-20)18-10-8-15(2)9-11-18/h5-12H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyVMJHQJXPKGKKLW-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.41
Rot. Bonds7

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

N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 4194877) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID4194877
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCCc1cccc(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)c1
InChIInChI=1S/C22H24N2O3S/c1-4-17-6-5-7-19(12-17)23-21(25)14-28(26)13-20-16(3)27-22(24-20)18-10-8-15(2)9-11-18/h5-12H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyVMJHQJXPKGKKLW-UHFFFAOYSA-N
XLogP4.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 4194877) is N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is CCc1cccc(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is VMJHQJXPKGKKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-4-17-6-5-7-19(12-17)23-21(25)14-28(26)13-20-16(3)27-22(24-20)18-10-8-15(2)9-11-18/h5-12H,4,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 4194877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).