2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

C24H22F2N4O5S — CID 59008703

IUPAC2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
SMILESCN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3C(=O)CS(=O)CC3c3cc(F)cc(F)c3)cc1C2
InChIInChI=1S/C24H22F2N4O5S/c1-29-23(34)28-22(33)24(29)8-13-2-3-18(6-15(13)9-24)27-20(31)10-30-19(11-36(35)12-21(30)32)14-4-16(25)7-17(26)5-14/h2-7,19H,8-12H2,1H3,(H,27,31)(H,28,33,34)
InChIKeyMVFRWQJLPCJIGN-UHFFFAOYSA-N
MW516.53 g/mol
LogP1.25
Rot. Bonds4

About 2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (PubChem CID 59008703) has the molecular formula C24H22F2N4O5S and a molecular weight of 516.53 g/mol. Its IUPAC name is 2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
PubChem CID59008703
Molecular FormulaC24H22F2N4O5S
Molecular Weight516.53 g/mol
Exact Mass516.13
IUPAC Name2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
SMILESCN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3C(=O)CS(=O)CC3c3cc(F)cc(F)c3)cc1C2
InChIInChI=1S/C24H22F2N4O5S/c1-29-23(34)28-22(33)24(29)8-13-2-3-18(6-15(13)9-24)27-20(31)10-30-19(11-36(35)12-21(30)32)14-4-16(25)7-17(26)5-14/h2-7,19H,8-12H2,1H3,(H,27,31)(H,28,33,34)
InChIKeyMVFRWQJLPCJIGN-UHFFFAOYSA-N
XLogP1.25
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.53
LogP ≤ 51.25
H-Bond Donors ≤ 52
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 2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The IUPAC name of 2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (CID 59008703) is 2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.
What is the SMILES notation for 2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The canonical SMILES for 2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3C(=O)CS(=O)CC3c3cc(F)cc(F)c3)cc1C2.
What is the InChIKey of 2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The InChIKey is MVFRWQJLPCJIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O5S/c1-29-23(34)28-22(33)24(29)8-13-2-3-18(6-15(13)9-24)27-20(31)10-30-19(11-36(35)12-21(30)32)14-4-16(25)7-17(26)5-14/h2-7,19H,8-12H2,1H3,(H,27,31)(H,28,33,34).
What are the key properties of 2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide has a molecular weight of 516.53 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluorophenyl)-1,5-dioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 59008703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).