2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide

C23H24N4O4S — CID 92898292

IUPAC2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(SC)cc4)C3)o2)cc1
InChIInChI=1S/C23H24N4O4S/c1-3-15-4-8-18(9-5-15)30-14-20(28)24-23-26-25-22(31-23)16-12-21(29)27(13-16)17-6-10-19(32-2)11-7-17/h4-11,16H,3,12-14H2,1-2H3,(H,24,26,28)/t16-/m1/s1
InChIKeyRZAFSJZDCHZZTQ-MRXNPFEDSA-N
MW452.54 g/mol
LogP3.89
Rot. Bonds8

About 2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide

2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 92898292) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID92898292
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(SC)cc4)C3)o2)cc1
InChIInChI=1S/C23H24N4O4S/c1-3-15-4-8-18(9-5-15)30-14-20(28)24-23-26-25-22(31-23)16-12-21(29)27(13-16)17-6-10-19(32-2)11-7-17/h4-11,16H,3,12-14H2,1-2H3,(H,24,26,28)/t16-/m1/s1
InChIKeyRZAFSJZDCHZZTQ-MRXNPFEDSA-N
XLogP3.89
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 50837538
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 92898150
N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 50837354
2-(4-fluorophenoxy)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50837467
2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898173
N-[5-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pentanamide
CID 50836807
N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 92898124
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]butanamide
CID 92898109
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 92898103
2-(4-methylphenyl)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898187
4-fluoro-N-[5-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 50836671
4-methyl-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92898210

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide (CID 92898292) is 2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide is CCc1ccc(OCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(SC)cc4)C3)o2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is RZAFSJZDCHZZTQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-3-15-4-8-18(9-5-15)30-14-20(28)24-23-26-25-22(31-23)16-12-21(29)27(13-16)17-6-10-19(32-2)11-7-17/h4-11,16H,3,12-14H2,1-2H3,(H,24,26,28)/t16-/m1/s1.
What are the key properties of 2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 452.54 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[5-[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 92898292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).