N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide

C23H22N4O4S — CID 25032459

IUPACN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O
InChIInChI=1S/C23H22N4O4S/c1-2-17-20(29)27(16-5-3-4-6-18(16)32-17)12-19(28)24-15-8-7-13-10-23(11-14(13)9-15)21(30)25-22(31)26-23/h3-9,17H,2,10-12H2,1H3,(H,24,28)(H2,25,26,30,31)
InChIKeyIEMSHSNYDWFAGG-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.22
Rot. Bonds4

About N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 25032459) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID25032459
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O
InChIInChI=1S/C23H22N4O4S/c1-2-17-20(29)27(16-5-3-4-6-18(16)32-17)12-19(28)24-15-8-7-13-10-23(11-14(13)9-15)21(30)25-22(31)26-23/h3-9,17H,2,10-12H2,1H3,(H,24,28)(H2,25,26,30,31)
InChIKeyIEMSHSNYDWFAGG-UHFFFAOYSA-N
XLogP2.22
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 25032459) is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is CCC1Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.
What is the InChIKey of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is IEMSHSNYDWFAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-2-17-20(29)27(16-5-3-4-6-18(16)32-17)12-19(28)24-15-8-7-13-10-23(11-14(13)9-15)21(30)25-22(31)26-23/h3-9,17H,2,10-12H2,1H3,(H,24,28)(H2,25,26,30,31).
What are the key properties of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 450.52 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 25032459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).