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

C26H26F2N4O5S — CID 25020710

IUPAC2-[(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
SMILESCN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN3C(=O)C(C)(C)S(=O)C[C@H]3c3cc(F)cc(F)c3)cc1C2
InChIInChI=1S/C26H26F2N4O5S/c1-25(2)23(35)32(20(13-38(25)37)15-6-17(27)9-18(28)7-15)12-21(33)29-19-5-4-14-10-26(11-16(14)8-19)22(34)30-24(36)31(26)3/h4-9,20H,10-13H2,1-3H3,(H,29,33)(H,30,34,36)/t20-,26-,38?/m0/s1
InChIKeyNMZARXIPOPKWLK-GQQPGZLQSA-N
MW544.58 g/mol
LogP2.03
Rot. Bonds4

About 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

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 (PubChem CID 25020710) has the molecular formula C26H26F2N4O5S and a molecular weight of 544.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID25020710
Molecular FormulaC26H26F2N4O5S
Molecular Weight544.58 g/mol
Exact Mass544.16
IUPAC Name2-[(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
SMILESCN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN3C(=O)C(C)(C)S(=O)C[C@H]3c3cc(F)cc(F)c3)cc1C2
InChIInChI=1S/C26H26F2N4O5S/c1-25(2)23(35)32(20(13-38(25)37)15-6-17(27)9-18(28)7-15)12-21(33)29-19-5-4-14-10-26(11-16(14)8-19)22(34)30-24(36)31(26)3/h4-9,20H,10-13H2,1-3H3,(H,29,33)(H,30,34,36)/t20-,26-,38?/m0/s1
InChIKeyNMZARXIPOPKWLK-GQQPGZLQSA-N
XLogP2.03
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.58
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
CID 45485640
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-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[2-[[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide
CID 45485687
N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 16316330
N-(1,1-dioxothiolan-3-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 16317996
2-(6-acetamido-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-benzyl-N-(1-cyclopropylethyl)acetamide
CID 118956914
N-[(4-fluorophenyl)methyl]-2-[(3S)-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957807
2-[(1R,3S)-1-fluoro-6-(methylcarbamoylamino)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957992
2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide
CID 44420261
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
2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 45485609
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN3C(=O)C(C)(C)S(=O)C[C@H]3c3cc(F)cc(F)c3)cc1C2.
What is the InChIKey of 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?
The InChIKey is NMZARXIPOPKWLK-GQQPGZLQSA-N. The full InChI is InChI=1S/C26H26F2N4O5S/c1-25(2)23(35)32(20(13-38(25)37)15-6-17(27)9-18(28)7-15)12-21(33)29-19-5-4-14-10-26(11-16(14)8-19)22(34)30-24(36)31(26)3/h4-9,20H,10-13H2,1-3H3,(H,29,33)(H,30,34,36)/t20-,26-,38?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 544.58 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25020710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).