N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide

C23H26N4O3S — CID 146575652

IUPACN-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Nc2ccc(C)cc2)c(-c2cc(N(C)C)c(=O)n(C)c2)c1
InChIInChI=1S/C23H26N4O3S/c1-6-31(29,30)25-19-11-12-21(24-18-9-7-16(2)8-10-18)20(14-19)17-13-22(26(3)4)23(28)27(5)15-17/h6-15,24-25H,1H2,2-5H3
InChIKeyXPCOKIPIVHZFRU-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.06
Rot. Bonds7

About N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide

N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide (PubChem CID 146575652) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide
PubChem CID146575652
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Nc2ccc(C)cc2)c(-c2cc(N(C)C)c(=O)n(C)c2)c1
InChIInChI=1S/C23H26N4O3S/c1-6-31(29,30)25-19-11-12-21(24-18-9-7-16(2)8-10-18)20(14-19)17-13-22(26(3)4)23(28)27(5)15-17/h6-15,24-25H,1H2,2-5H3
InChIKeyXPCOKIPIVHZFRU-UHFFFAOYSA-N
XLogP4.06
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide?
The IUPAC name of N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide (CID 146575652) is N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide.
What is the SMILES notation for N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide?
The canonical SMILES for N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Nc2ccc(C)cc2)c(-c2cc(N(C)C)c(=O)n(C)c2)c1.
What is the InChIKey of N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide?
The InChIKey is XPCOKIPIVHZFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-6-31(29,30)25-19-11-12-21(24-18-9-7-16(2)8-10-18)20(14-19)17-13-22(26(3)4)23(28)27(5)15-17/h6-15,24-25H,1H2,2-5H3.
What are the key properties of N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide?
N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide has a molecular weight of 438.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide is sourced from PubChem (CID 146575652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).