2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide

C22H23FN2O4S2 — CID 20860849

IUPAC2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3F)oc2C)cc1
InChIInChI=1S/C22H23FN2O4S2/c1-15-20(25-22(29-15)18-5-3-4-6-19(18)23)13-31(27,28)14-21(26)24-12-11-16-7-9-17(30-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,24,26)
InChIKeyWCTRIUCOHUNTQU-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.78
Rot. Bonds9

About 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide

2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 20860849) has the molecular formula C22H23FN2O4S2 and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID20860849
Molecular FormulaC22H23FN2O4S2
Molecular Weight462.57 g/mol
Exact Mass462.11
IUPAC Name2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3F)oc2C)cc1
InChIInChI=1S/C22H23FN2O4S2/c1-15-20(25-22(29-15)18-5-3-4-6-19(18)23)13-31(27,28)14-21(26)24-12-11-16-7-9-17(30-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,24,26)
InChIKeyWCTRIUCOHUNTQU-UHFFFAOYSA-N
XLogP3.78
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 20860684
2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 20860841
N-(3-cyclohexylsulfanylpropyl)-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 20860847
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyridin-4-ylethyl)acetamide
CID 121359791
2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 20860212
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 5307662
1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-4-(4-fluorophenyl)butan-2-one
CID 158304294
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 6625021
N-[(4-chlorophenyl)methyl]-2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 20876760
1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-5-pyrrolidin-1-ylpentan-2-one
CID 146950268

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide (CID 20860849) is 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3F)oc2C)cc1.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is WCTRIUCOHUNTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S2/c1-15-20(25-22(29-15)18-5-3-4-6-19(18)23)13-31(27,28)14-21(26)24-12-11-16-7-9-17(30-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,24,26).
What are the key properties of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide?
2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 462.57 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 20860849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).