(4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C24H20N4O4S2 — CID 25362814

IUPAC(4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1
InChIInChI=1S/C24H20N4O4S2/c29-21(28-17(20-8-4-12-34-20)13-16(26-28)19-7-3-11-33-19)14-27-22(30)24(25-23(27)31)9-10-32-18-6-2-1-5-15(18)24/h1-8,11-12,17H,9-10,13-14H2,(H,25,31)/t17-,24+/m0/s1
InChIKeyKMCHVPJTWVVMLP-BXKMTCNYSA-N
MW492.58 g/mol
LogP3.72
Rot. Bonds4

About (4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 25362814) has the molecular formula C24H20N4O4S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is (4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID25362814
Molecular FormulaC24H20N4O4S2
Molecular Weight492.58 g/mol
Exact Mass492.09
IUPAC Name(4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1
InChIInChI=1S/C24H20N4O4S2/c29-21(28-17(20-8-4-12-34-20)13-16(26-28)19-7-3-11-33-19)14-27-22(30)24(25-23(27)31)9-10-32-18-6-2-1-5-15(18)24/h1-8,11-12,17H,9-10,13-14H2,(H,25,31)/t17-,24+/m0/s1
InChIKeyKMCHVPJTWVVMLP-BXKMTCNYSA-N
XLogP3.72
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 41117291
(5S)-3-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 41096793
3-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520306
(4S)-3'-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 26917835
(4R)-3'-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 26917836
[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 42984142
2-chloro-1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 930024
(2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 7711524
1-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 40881867
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43028497
3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 3527073
(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442760

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 25362814) is (4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1.
What is the InChIKey of (4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is KMCHVPJTWVVMLP-BXKMTCNYSA-N. The full InChI is InChI=1S/C24H20N4O4S2/c29-21(28-17(20-8-4-12-34-20)13-16(26-28)19-7-3-11-33-19)14-27-22(30)24(25-23(27)31)9-10-32-18-6-2-1-5-15(18)24/h1-8,11-12,17H,9-10,13-14H2,(H,25,31)/t17-,24+/m0/s1.
What are the key properties of (4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 492.58 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 25362814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).