(4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

C18H17FN2O2S2 — CID 40882101

IUPAC(4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCCc3sccc32)C(=O)N1CCSc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S2/c19-12-3-5-13(6-4-12)24-11-9-21-16(22)18(20-17(21)23)8-1-2-15-14(18)7-10-25-15/h3-7,10H,1-2,8-9,11H2,(H,20,23)/t18-/m0/s1
InChIKeyUZVWQGHDVBRLNT-SFHVURJKSA-N
MW376.48 g/mol
LogP3.76
Rot. Bonds4

About (4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 40882101) has the molecular formula C18H17FN2O2S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is (4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
PubChem CID40882101
Molecular FormulaC18H17FN2O2S2
Molecular Weight376.48 g/mol
Exact Mass376.07
IUPAC Name(4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCCc3sccc32)C(=O)N1CCSc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S2/c19-12-3-5-13(6-4-12)24-11-9-21-16(22)18(20-17(21)23)8-1-2-15-14(18)7-10-25-15/h3-7,10H,1-2,8-9,11H2,(H,20,23)/t18-/m0/s1
InChIKeyUZVWQGHDVBRLNT-SFHVURJKSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3'-[(3-fluorophenyl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771561
(4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7987669
(4R)-3'-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 40953388
(4S)-3'-(cyclohexylmethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771937
3'-(3-phenylprop-2-enyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 73391006
(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7772587
3'-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 17428646
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 41291971
(4S)-3'-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771456
(4R)-3'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7772027
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N,N-diethylacetamide
CID 7919395
N-(3,4-difluorophenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7772165

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (CID 40882101) is (4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@]2(CCCc3sccc32)C(=O)N1CCSc1ccc(F)cc1.
What is the InChIKey of (4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is UZVWQGHDVBRLNT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17FN2O2S2/c19-12-3-5-13(6-4-12)24-11-9-21-16(22)18(20-17(21)23)8-1-2-15-14(18)7-10-25-15/h3-7,10H,1-2,8-9,11H2,(H,20,23)/t18-/m0/s1.
What are the key properties of (4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 376.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[2-(4-fluorophenyl)sulfanylethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 40882101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).