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

C22H23ClN2O3S — CID 20860415

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCc1cccc(-c2nc(CS(=O)CC(=O)NCCc3ccc(Cl)cc3)c(C)o2)c1
InChIInChI=1S/C22H23ClN2O3S/c1-15-4-3-5-18(12-15)22-25-20(16(2)28-22)13-29(27)14-21(26)24-11-10-17-6-8-19(23)9-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,26)
InChIKeyWHOFLKXOROXVNW-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.22
Rot. Bonds8

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

N-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 20860415) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID20860415
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCc1cccc(-c2nc(CS(=O)CC(=O)NCCc3ccc(Cl)cc3)c(C)o2)c1
InChIInChI=1S/C22H23ClN2O3S/c1-15-4-3-5-18(12-15)22-25-20(16(2)28-22)13-29(27)14-21(26)24-11-10-17-6-8-19(23)9-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,26)
InChIKeyWHOFLKXOROXVNW-UHFFFAOYSA-N
XLogP4.22
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 20860415) is N-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is Cc1cccc(-c2nc(CS(=O)CC(=O)NCCc3ccc(Cl)cc3)c(C)o2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is WHOFLKXOROXVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-15-4-3-5-18(12-15)22-25-20(16(2)28-22)13-29(27)14-21(26)24-11-10-17-6-8-19(23)9-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 430.96 g/mol, XLogP of 4.22, 8 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-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 20860415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).