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

C25H26N4O4S — CID 25032384

IUPAC2-(2-butyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
SMILESCCCCC1Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O
InChIInChI=1S/C25H26N4O4S/c1-2-3-7-20-22(31)29(18-6-4-5-8-19(18)34-20)14-21(30)26-17-10-9-15-12-25(13-16(15)11-17)23(32)27-24(33)28-25/h4-6,8-11,20H,2-3,7,12-14H2,1H3,(H,26,30)(H2,27,28,32,33)
InChIKeyYPNBNZIGVRWRHO-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.00
Rot. Bonds6

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

2-(2-butyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide (PubChem CID 25032384) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 2-(2-butyl-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-butyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
PubChem CID25032384
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name2-(2-butyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
SMILESCCCCC1Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O
InChIInChI=1S/C25H26N4O4S/c1-2-3-7-20-22(31)29(18-6-4-5-8-19(18)34-20)14-21(30)26-17-10-9-15-12-25(13-16(15)11-17)23(32)27-24(33)28-25/h4-6,8-11,20H,2-3,7,12-14H2,1H3,(H,26,30)(H2,27,28,32,33)
InChIKeyYPNBNZIGVRWRHO-UHFFFAOYSA-N
XLogP3.00
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.00
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 2-(2-butyl-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-butyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide (CID 25032384) is 2-(2-butyl-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-butyl-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-butyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide is CCCCC1Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.
What is the InChIKey of 2-(2-butyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?
The InChIKey is YPNBNZIGVRWRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-2-3-7-20-22(31)29(18-6-4-5-8-19(18)34-20)14-21(30)26-17-10-9-15-12-25(13-16(15)11-17)23(32)27-24(33)28-25/h4-6,8-11,20H,2-3,7,12-14H2,1H3,(H,26,30)(H2,27,28,32,33).
What are the key properties of 2-(2-butyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?
2-(2-butyl-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 478.57 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-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 25032384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).