4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

C19H20N2O5S — CID 22550730

IUPAC4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2C)N(C(C)=O)CCO3)cc1
InChIInChI=1S/C19H20N2O5S/c1-12-10-17-18(26-9-8-21(17)14(3)23)11-19(12)27(24,25)20-16-6-4-15(5-7-16)13(2)22/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyULMHYVWQYSZEKN-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.74
Rot. Bonds4

About 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (PubChem CID 22550730) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
PubChem CID22550730
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2C)N(C(C)=O)CCO3)cc1
InChIInChI=1S/C19H20N2O5S/c1-12-10-17-18(26-9-8-21(17)14(3)23)11-19(12)27(24,25)20-16-6-4-15(5-7-16)13(2)22/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyULMHYVWQYSZEKN-UHFFFAOYSA-N
XLogP2.74
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide 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 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (CID 22550730) is 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2C)N(C(C)=O)CCO3)cc1.
What is the InChIKey of 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The InChIKey is ULMHYVWQYSZEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12-10-17-18(26-9-8-21(17)14(3)23)11-19(12)27(24,25)20-16-6-4-15(5-7-16)13(2)22/h4-7,10-11,20H,8-9H2,1-3H3.
What are the key properties of 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-acetylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22550730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).