(3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C22H18N2O3S — CID 41144007

IUPAC(3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1c(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)sc2ccccc12
InChIInChI=1S/C22H18N2O3S/c1-13-15-7-3-5-9-18(15)28-19(13)17(25)12-24-20(26)22(23-21(24)27)11-10-14-6-2-4-8-16(14)22/h2-9H,10-12H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyGPKNHNMKIDGABN-QFIPXVFZSA-N
MW390.46 g/mol
LogP3.79
Rot. Bonds3

About (3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 41144007) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is (3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID41144007
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name(3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1c(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)sc2ccccc12
InChIInChI=1S/C22H18N2O3S/c1-13-15-7-3-5-9-18(15)28-19(13)17(25)12-24-20(26)22(23-21(24)27)11-10-14-6-2-4-8-16(14)22/h2-9H,10-12H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyGPKNHNMKIDGABN-QFIPXVFZSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.79
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

(3R)-3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 41324950
(5R,6S)-6-methyl-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41131173
ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18775236
3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 3582932
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 4790868
3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18097549
(4S)-3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2083944
3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 3927055
5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24521023
tert-butyl 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetate
CID 40857312
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974

Frequently Asked Questions

What is the IUPAC name of (3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 41144007) is (3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is Cc1c(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)sc2ccccc12.
What is the InChIKey of (3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is GPKNHNMKIDGABN-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-13-15-7-3-5-9-18(15)28-19(13)17(25)12-24-20(26)22(23-21(24)27)11-10-14-6-2-4-8-16(14)22/h2-9H,10-12H2,1H3,(H,23,27)/t22-/m0/s1.
What are the key properties of (3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 390.46 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3'-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 41144007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).