N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide

C23H25FN4O7S2 — CID 97353813

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1
InChIInChI=1S/C23H25FN4O7S2/c1-3-27(4-2)37(34,35)17-8-6-16(7-9-17)25-20(29)14-28-21(30)23(26-22(28)31)11-12-36(32,33)19-10-5-15(24)13-18(19)23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,25,29)(H,26,31)/t23-/m0/s1
InChIKeyVJGPBFHIPLDUHV-QHCPKHFHSA-N
MW552.61 g/mol
LogP1.42
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 97353813) has the molecular formula C23H25FN4O7S2 and a molecular weight of 552.61 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide
PubChem CID97353813
Molecular FormulaC23H25FN4O7S2
Molecular Weight552.61 g/mol
Exact Mass552.11
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1
InChIInChI=1S/C23H25FN4O7S2/c1-3-27(4-2)37(34,35)17-8-6-16(7-9-17)25-20(29)14-28-21(30)23(26-22(28)31)11-12-36(32,33)19-10-5-15(24)13-18(19)23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,25,29)(H,26,31)/t23-/m0/s1
InChIKeyVJGPBFHIPLDUHV-QHCPKHFHSA-N
XLogP1.42
TPSA150.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.61
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-[(4R)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide
CID 97353814
N-[4-(diethylsulfamoyl)phenyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40814427
N-[4-(diethylsulfamoyl)phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16614144
N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916612
3'-(3,3-dimethyl-2-oxobutyl)-6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 17411382
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4857900
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 55308756
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 51644980
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3899374
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide
CID 19260066
N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
CID 41209061

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide (CID 97353813) is N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is VJGPBFHIPLDUHV-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25FN4O7S2/c1-3-27(4-2)37(34,35)17-8-6-16(7-9-17)25-20(29)14-28-21(30)23(26-22(28)31)11-12-36(32,33)19-10-5-15(24)13-18(19)23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,25,29)(H,26,31)/t23-/m0/s1.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 552.61 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-6-fluoro-1,1,2',5'-tetraoxospiro[2,3-dihydrothiochromene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 97353813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).