4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione

C18H17NO3S — CID 3763898

IUPAC4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione
SMILESCc1ccc(N2C(=O)CS(=O)C(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C18H17NO3S/c1-12-8-9-15(10-13(12)2)19-16(20)11-23(22)17(18(19)21)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3
InChIKeyWXSDOTFPNJNEDU-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.67
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione

4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione (PubChem CID 3763898) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione
PubChem CID3763898
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione
SMILESCc1ccc(N2C(=O)CS(=O)C(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C18H17NO3S/c1-12-8-9-15(10-13(12)2)19-16(20)11-23(22)17(18(19)21)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3
InChIKeyWXSDOTFPNJNEDU-UHFFFAOYSA-N
XLogP2.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione?
The IUPAC name of 4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione (CID 3763898) is 4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione?
The canonical SMILES for 4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione is Cc1ccc(N2C(=O)CS(=O)C(c3ccccc3)C2=O)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione?
The InChIKey is WXSDOTFPNJNEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-12-8-9-15(10-13(12)2)19-16(20)11-23(22)17(18(19)21)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione?
4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione has a molecular weight of 327.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione is sourced from PubChem (CID 3763898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).