2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide

C21H19ClN4O5S — CID 50836735

IUPAC2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1ccc(N2CC(c3nnc(NC(=O)Cc4ccc(Cl)cc4)o3)CC2=O)cc1
InChIInChI=1S/C21H19ClN4O5S/c1-32(29,30)17-8-6-16(7-9-17)26-12-14(11-19(26)28)20-24-25-21(31-20)23-18(27)10-13-2-4-15(22)5-3-13/h2-9,14H,10-12H2,1H3,(H,23,25,27)
InChIKeyAOSKHZDRDJDWSA-UHFFFAOYSA-N
MW474.93 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide

2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 50836735) has the molecular formula C21H19ClN4O5S and a molecular weight of 474.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID50836735
Molecular FormulaC21H19ClN4O5S
Molecular Weight474.93 g/mol
Exact Mass474.08
IUPAC Name2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1ccc(N2CC(c3nnc(NC(=O)Cc4ccc(Cl)cc4)o3)CC2=O)cc1
InChIInChI=1S/C21H19ClN4O5S/c1-32(29,30)17-8-6-16(7-9-17)26-12-14(11-19(26)28)20-24-25-21(31-20)23-18(27)10-13-2-4-15(22)5-3-13/h2-9,14H,10-12H2,1H3,(H,23,25,27)
InChIKeyAOSKHZDRDJDWSA-UHFFFAOYSA-N
XLogP2.83
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.93
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 92898323
3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 90603892
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 50837538
4-methoxy-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92898317
N-[5-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 92898124
2-(4-methylphenyl)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898187
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393291
2-(4-methoxy-3-methylphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52993084
4-(4-chlorophenyl)sulfanyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]butanamide
CID 90603905
2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50837352
N-[5-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pentanamide
CID 50836807
N-[5-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]butanamide
CID 92898109

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide (CID 50836735) is 2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide is CS(=O)(=O)c1ccc(N2CC(c3nnc(NC(=O)Cc4ccc(Cl)cc4)o3)CC2=O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is AOSKHZDRDJDWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O5S/c1-32(29,30)17-8-6-16(7-9-17)26-12-14(11-19(26)28)20-24-25-21(31-20)23-18(27)10-13-2-4-15(22)5-3-13/h2-9,14H,10-12H2,1H3,(H,23,25,27).
What are the key properties of 2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 474.93 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-[1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 50836735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).