5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide

C20H28ClN3O4S — CID 69377058

IUPAC5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCCN1CCC(NS(=O)(=O)C=Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H28ClN3O4S/c1-15(2)22-19(25)5-3-4-12-24-13-10-18(20(24)26)23-29(27,28)14-11-16-6-8-17(21)9-7-16/h6-9,11,14-15,18,23H,3-5,10,12-13H2,1-2H3,(H,22,25)
InChIKeyHMTBUMOTOYASHQ-UHFFFAOYSA-N
MW441.98 g/mol
LogP2.53
Rot. Bonds10

About 5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide

5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide (PubChem CID 69377058) has the molecular formula C20H28ClN3O4S and a molecular weight of 441.98 g/mol. Its IUPAC name is 5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide
PubChem CID69377058
Molecular FormulaC20H28ClN3O4S
Molecular Weight441.98 g/mol
Exact Mass441.15
IUPAC Name5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCCN1CCC(NS(=O)(=O)C=Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H28ClN3O4S/c1-15(2)22-19(25)5-3-4-12-24-13-10-18(20(24)26)23-29(27,28)14-11-16-6-8-17(21)9-7-16/h6-9,11,14-15,18,23H,3-5,10,12-13H2,1-2H3,(H,22,25)
InChIKeyHMTBUMOTOYASHQ-UHFFFAOYSA-N
XLogP2.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide?
The IUPAC name of 5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide (CID 69377058) is 5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide?
The canonical SMILES for 5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide is CC(C)NC(=O)CCCCN1CCC(NS(=O)(=O)C=Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide?
The InChIKey is HMTBUMOTOYASHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O4S/c1-15(2)22-19(25)5-3-4-12-24-13-10-18(20(24)26)23-29(27,28)14-11-16-6-8-17(21)9-7-16/h6-9,11,14-15,18,23H,3-5,10,12-13H2,1-2H3,(H,22,25).
What are the key properties of 5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide?
5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide has a molecular weight of 441.98 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide is sourced from PubChem (CID 69377058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).