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

C23H22N4O4S — CID 25032460

IUPAC2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
SMILESCC1(C)Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O
InChIInChI=1S/C23H22N4O4S/c1-22(2)20(30)27(16-5-3-4-6-17(16)32-22)12-18(28)24-15-8-7-13-10-23(11-14(13)9-15)19(29)25-21(31)26-23/h3-9H,10-12H2,1-2H3,(H,24,28)(H2,25,26,29,31)
InChIKeyNIVADOOLWOUSRJ-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.22
Rot. Bonds3

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

2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide (PubChem CID 25032460) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
PubChem CID25032460
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
SMILESCC1(C)Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O
InChIInChI=1S/C23H22N4O4S/c1-22(2)20(30)27(16-5-3-4-6-17(16)32-22)12-18(28)24-15-8-7-13-10-23(11-14(13)9-15)19(29)25-21(31)26-23/h3-9H,10-12H2,1-2H3,(H,24,28)(H2,25,26,29,31)
InChIKeyNIVADOOLWOUSRJ-UHFFFAOYSA-N
XLogP2.22
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]propanamide
CID 45485677
N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide
CID 44570499
N-benzyl-2,2-dimethyl-N-[2-[[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
CID 45485621
N-benzyl-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
CID 45485625
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide
CID 45485631
N-[(3-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide
CID 45485645
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide
CID 45485654
2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]-N-[(3-methylphenyl)methyl]propanamide
CID 45485665
2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]propanamide
CID 45485676
N-benzyl-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide
CID 75116216
2-[(5R)-5-(3,5-Difluorophenyl)-2,2-dimethyl-3-oxo-4-thiomorpholinyl]-N-[(4S)-3-methyl-2,5-dioxo-1',3'-dihydrospiro[imidazolidine-4,2'-inden]-5'-yl]acetamide
CID 25020709
2-[(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-1,3-dioxo-1,4-thiazinan-4-yl]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide
CID 25020710

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?
The IUPAC name of 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide (CID 25032460) is 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?
The canonical SMILES for 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide is CC1(C)Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.
What is the InChIKey of 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?
The InChIKey is NIVADOOLWOUSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-22(2)20(30)27(16-5-3-4-6-17(16)32-22)12-18(28)24-15-8-7-13-10-23(11-14(13)9-15)19(29)25-21(31)26-23/h3-9H,10-12H2,1-2H3,(H,24,28)(H2,25,26,29,31).
What are the key properties of 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?
2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide has a molecular weight of 450.52 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 25032460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).