3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide

C21H19ClN4O5S — CID 90603892

IUPAC3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1
InChIInChI=1S/C21H19ClN4O5S/c22-15-6-8-17(9-7-15)32(29,30)11-10-18(27)23-21-25-24-20(31-21)14-12-19(28)26(13-14)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,25,27)
InChIKeyDWHQINNLQHKCOT-UHFFFAOYSA-N
MW474.93 g/mol
LogP3.05
Rot. Bonds7

About 3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide

3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 90603892) has the molecular formula C21H19ClN4O5S and a molecular weight of 474.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID90603892
Molecular FormulaC21H19ClN4O5S
Molecular Weight474.93 g/mol
Exact Mass474.08
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1
InChIInChI=1S/C21H19ClN4O5S/c22-15-6-8-17(9-7-15)32(29,30)11-10-18(27)23-21-25-24-20(31-21)14-12-19(28)26(13-14)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,25,27)
InChIKeyDWHQINNLQHKCOT-UHFFFAOYSA-N
XLogP3.05
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.93
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 90603892) is 3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is DWHQINNLQHKCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O5S/c22-15-6-8-17(9-7-15)32(29,30)11-10-18(27)23-21-25-24-20(31-21)14-12-19(28)26(13-14)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,25,27).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 474.93 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 90603892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).