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

C23H25ClN2O3S — CID 4231236

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCCc1ccc(-c2nc(CS(=O)CC(=O)NCCc3ccc(Cl)cc3)c(C)o2)cc1
InChIInChI=1S/C23H25ClN2O3S/c1-3-17-4-8-19(9-5-17)23-26-21(16(2)29-23)14-30(28)15-22(27)25-13-12-18-6-10-20(24)11-7-18/h4-11H,3,12-15H2,1-2H3,(H,25,27)
InChIKeyWNNVKIVCAYQSJX-UHFFFAOYSA-N
MW444.98 g/mol
LogP4.47
Rot. Bonds9

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

N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 4231236) has the molecular formula C23H25ClN2O3S and a molecular weight of 444.98 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID4231236
Molecular FormulaC23H25ClN2O3S
Molecular Weight444.98 g/mol
Exact Mass444.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCCc1ccc(-c2nc(CS(=O)CC(=O)NCCc3ccc(Cl)cc3)c(C)o2)cc1
InChIInChI=1S/C23H25ClN2O3S/c1-3-17-4-8-19(9-5-17)23-26-21(16(2)29-23)14-30(28)15-22(27)25-13-12-18-6-10-20(24)11-7-18/h4-11H,3,12-15H2,1-2H3,(H,25,27)
InChIKeyWNNVKIVCAYQSJX-UHFFFAOYSA-N
XLogP4.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.98
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273
1-[4-(3-Chlorophenyl)piperazin-1-YL]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methanesulfinyl}ethan-1-one
CID 16007920
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfonyl}-N-[2-(4-methylphenyl)ethyl]acetamide
CID 16008049
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 3240581
4-[({[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]morpholine
CID 3235915
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetamide
CID 3236439
2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)-N-(3-morpholin-4-ylpropyl)acetamide
CID 3236658
2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)-N-(3-morpholin-4-ylpropyl)acetamide
CID 3237115
N-{3-[cyclohexyl(methyl)amino]propyl}-2-({[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetamide
CID 3238711
2-(((2-(2-Chlorophenyl)-5-methyloxazol-4-yl)methyl)thio)-N-cyclopropylacetamide
CID 3239474
N-[2-(dipropylamino)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide
CID 3241591
2-(2-Chlorophenyl)-5-methyl-4-{[(2-oxo-2-pyrrolidin-1-ylethyl)thio]methyl}-1,3-oxazole
CID 3242681

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 4231236) is N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide is CCc1ccc(-c2nc(CS(=O)CC(=O)NCCc3ccc(Cl)cc3)c(C)o2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is WNNVKIVCAYQSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3S/c1-3-17-4-8-19(9-5-17)23-26-21(16(2)29-23)14-30(28)15-22(27)25-13-12-18-6-10-20(24)11-7-18/h4-11H,3,12-15H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 444.98 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 4231236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).