N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide

C25H27N3O4S — CID 42869159

IUPACN-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1CN1CCCN(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)C1=O
InChIInChI=1S/C25H27N3O4S/c1-19-8-14-23(15-9-19)33(30,31)26-21-10-12-22(13-11-21)28-17-5-16-27(25(28)29)18-20-6-3-4-7-24(20)32-2/h3-4,6-15,26H,5,16-18H2,1-2H3
InChIKeyFXWUEQZTFOIYND-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.64
Rot. Bonds7

About N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide

N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 42869159) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide
PubChem CID42869159
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1CN1CCCN(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)C1=O
InChIInChI=1S/C25H27N3O4S/c1-19-8-14-23(15-9-19)33(30,31)26-21-10-12-22(13-11-21)28-17-5-16-27(25(28)29)18-20-6-3-4-7-24(20)32-2/h3-4,6-15,26H,5,16-18H2,1-2H3
InChIKeyFXWUEQZTFOIYND-UHFFFAOYSA-N
XLogP4.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 42869133
N-[4-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-methylbenzenesulfonamide
CID 42869152
benzyl N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]carbamate
CID 42868694
4-chloro-N-[4-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzenesulfonamide
CID 42869168
N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide
CID 46069600
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
CID 112983555
3-methoxy-N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868692
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
CID 110666905
N-[3-[3-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzenesulfonamide
CID 42869290
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide (CID 42869159) is N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide is COc1ccccc1CN1CCCN(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)C1=O.
What is the InChIKey of N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is FXWUEQZTFOIYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-19-8-14-23(15-9-19)33(30,31)26-21-10-12-22(13-11-21)28-17-5-16-27(25(28)29)18-20-6-3-4-7-24(20)32-2/h3-4,6-15,26H,5,16-18H2,1-2H3.
What are the key properties of N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 42869159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).