N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide

C24H25N3O3S — CID 142092569

IUPACN-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2=CC=CCC2)c(=O)n1C/C=C/Cc1ccc(C#N)cc1
InChIInChI=1S/C24H25N3O3S/c1-19-10-15-23(26-31(29,30)18-22-8-3-2-4-9-22)24(28)27(19)16-6-5-7-20-11-13-21(17-25)14-12-20/h2-3,5-6,8,10-15,26H,4,7,9,16,18H2,1H3/b6-5+
InChIKeyDSRUVXOFKLZCMA-AATRIKPKSA-N
MW435.55 g/mol
LogP3.85
Rot. Bonds8

About N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide

N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide (PubChem CID 142092569) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide
PubChem CID142092569
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2=CC=CCC2)c(=O)n1C/C=C/Cc1ccc(C#N)cc1
InChIInChI=1S/C24H25N3O3S/c1-19-10-15-23(26-31(29,30)18-22-8-3-2-4-9-22)24(28)27(19)16-6-5-7-20-11-13-21(17-25)14-12-20/h2-3,5-6,8,10-15,26H,4,7,9,16,18H2,1H3/b6-5+
InChIKeyDSRUVXOFKLZCMA-AATRIKPKSA-N
XLogP3.85
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide with MolForge

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Related Compounds

3-Benzylsulfonylamino-6-trifluoromethyl-1-allyl-2-pyridinone
CID 18926408
N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 57643363
2-[6-Methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
CID 67565597
2-[3-[(4-Fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide
CID 70071371
N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
CID 142249155
3-(Benzylsulfonylamino)-6-methyl-1-(3-bromopropyl)pyridone
CID 12147022
N-[2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide
CID 15515692
4-[(E)-4-(3-amino-6-methyl-2-oxo-1-pyridinyl)but-2-enyl]benzonitrile
CID 23551879
N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide
CID 23551896
N-[1-[(3-cyanophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide
CID 56994192
N-[1-[(3-cyanophenyl)methyl]-5-oxo-2H-pyrrol-4-yl]-2-phenylethanesulfonamide
CID 57056283
N-[6-methyl-2-oxo-1-(2-oxopropyl)-3-pyridinyl]-1-phenylmethanesulfonamide
CID 57643364

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide?
The IUPAC name of N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide (CID 142092569) is N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide.
What is the SMILES notation for N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide?
The canonical SMILES for N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide is Cc1ccc(NS(=O)(=O)CC2=CC=CCC2)c(=O)n1C/C=C/Cc1ccc(C#N)cc1.
What is the InChIKey of N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide?
The InChIKey is DSRUVXOFKLZCMA-AATRIKPKSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-19-10-15-23(26-31(29,30)18-22-8-3-2-4-9-22)24(28)27(19)16-6-5-7-20-11-13-21(17-25)14-12-20/h2-3,5-6,8,10-15,26H,4,7,9,16,18H2,1H3/b6-5+.
What are the key properties of N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide?
N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-cyclohexa-1,3-dien-1-ylmethanesulfonamide is sourced from PubChem (CID 142092569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).