N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide

C24H23N3O3S — CID 23551896

IUPACN-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1C/C=C/Cc1ccc(C#N)cc1
InChIInChI=1S/C24H23N3O3S/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/h2-6,8-15,26H,7,16,18H2,1H3/b6-5+
InChIKeyRDMSPHXRFPKLLQ-AATRIKPKSA-N
MW433.53 g/mol
LogP3.77
Rot. Bonds8

About N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide

N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide (PubChem CID 23551896) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide
PubChem CID23551896
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1C/C=C/Cc1ccc(C#N)cc1
InChIInChI=1S/C24H23N3O3S/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/h2-6,8-15,26H,7,16,18H2,1H3/b6-5+
InChIKeyRDMSPHXRFPKLLQ-AATRIKPKSA-N
XLogP3.77
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide (CID 23551896) is N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)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-phenylmethanesulfonamide?
The InChIKey is RDMSPHXRFPKLLQ-AATRIKPKSA-N. The full InChI is InChI=1S/C24H23N3O3S/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/h2-6,8-15,26H,7,16,18H2,1H3/b6-5+.
What are the key properties of N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide?
N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]-1-phenylmethanesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 3.77, 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-phenylmethanesulfonamide is sourced from PubChem (CID 23551896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).