1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide

C15H18N2O4S — CID 2956482

IUPAC1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O4S/c1-3-10-16-15(19)13-8-9-14(18)17(13)22(20,21)12-6-4-11(2)5-7-12/h3-7,13H,1,8-10H2,2H3,(H,16,19)
InChIKeyBFVBKQLNHSNWCC-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.98
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide

1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 2956482) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID2956482
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O4S/c1-3-10-16-15(19)13-8-9-14(18)17(13)22(20,21)12-6-4-11(2)5-7-12/h3-7,13H,1,8-10H2,2H3,(H,16,19)
InChIKeyBFVBKQLNHSNWCC-UHFFFAOYSA-N
XLogP0.98
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide (CID 2956482) is 1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide is C=CCNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is BFVBKQLNHSNWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-3-10-16-15(19)13-8-9-14(18)17(13)22(20,21)12-6-4-11(2)5-7-12/h3-7,13H,1,8-10H2,2H3,(H,16,19).
What are the key properties of 1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide?
1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2956482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).