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

C21H18N4O4S — CID 25032386

IUPACN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O
InChIInChI=1S/C21H18N4O4S/c26-17(10-25-15-3-1-2-4-16(15)30-11-18(25)27)22-14-6-5-12-8-21(9-13(12)7-14)19(28)23-20(29)24-21/h1-7H,8-11H2,(H,22,26)(H2,23,24,28,29)
InChIKeySXDCLDOOBDAXAI-UHFFFAOYSA-N
MW422.47 g/mol
LogP1.44
Rot. Bonds3

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

N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 25032386) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID25032386
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC NameN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O
InChIInChI=1S/C21H18N4O4S/c26-17(10-25-15-3-1-2-4-16(15)30-11-18(25)27)22-14-6-5-12-8-21(9-13(12)7-14)19(28)23-20(29)24-21/h1-7H,8-11H2,(H,22,26)(H2,23,24,28,29)
InChIKeySXDCLDOOBDAXAI-UHFFFAOYSA-N
XLogP1.44
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 51.44
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

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-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
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide
CID 25032636
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[2-(4-fluorophenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 25032882
2-[5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 57977529
2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide
CID 57977562
2-[5-(3,5-difluorophenyl)-2,2-dimethyl-1,3-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 57977621
2-[(3R)-3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide
CID 57977689

Frequently Asked Questions

What is the IUPAC name of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(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-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 25032386) is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(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-(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-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O.
What is the InChIKey of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is SXDCLDOOBDAXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c26-17(10-25-15-3-1-2-4-16(15)30-11-18(25)27)22-14-6-5-12-8-21(9-13(12)7-14)19(28)23-20(29)24-21/h1-7H,8-11H2,(H,22,26)(H2,23,24,28,29).
What are the key properties of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 422.47 g/mol, XLogP of 1.44, 3 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-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 25032386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).