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

C20H25N3O3S — CID 46041032

IUPACN-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(N2CCCN(Cc3ccc(C)cc3)C2=O)c1
InChIInChI=1S/C20H25N3O3S/c1-3-27(25,26)21-18-6-4-7-19(14-18)23-13-5-12-22(20(23)24)15-17-10-8-16(2)9-11-17/h4,6-11,14,21H,3,5,12-13,15H2,1-2H3
InChIKeyFNMBTNGMHFZRIL-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.59
Rot. Bonds6

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

N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide (PubChem CID 46041032) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide
PubChem CID46041032
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(N2CCCN(Cc3ccc(C)cc3)C2=O)c1
InChIInChI=1S/C20H25N3O3S/c1-3-27(25,26)21-18-6-4-7-19(14-18)23-13-5-12-22(20(23)24)15-17-10-8-16(2)9-11-17/h4,6-11,14,21H,3,5,12-13,15H2,1-2H3
InChIKeyFNMBTNGMHFZRIL-UHFFFAOYSA-N
XLogP3.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide 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

4-chloro-N-[3-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzenesulfonamide
CID 42869228
4-fluoro-N-[3-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzenesulfonamide
CID 46070914
N-[3-[3-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzenesulfonamide
CID 42869290
2,6-difluoro-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46069931
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261
N-[3-[3-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 42869291
2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069929
3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylbenzamide
CID 50813895
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 42869133
N-[3-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-methylbenzamide
CID 46070096
N-[3-[3-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide
CID 42869000
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50813999

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide (CID 46041032) is N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(N2CCCN(Cc3ccc(C)cc3)C2=O)c1.
What is the InChIKey of N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide?
The InChIKey is FNMBTNGMHFZRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-27(25,26)21-18-6-4-7-19(14-18)23-13-5-12-22(20(23)24)15-17-10-8-16(2)9-11-17/h4,6-11,14,21H,3,5,12-13,15H2,1-2H3.
What are the key properties of N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide?
N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 46041032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).