3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C23H24N4O6S — CID 4850648

IUPAC3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H24N4O6S/c28-20(25-11-13-26(14-12-25)34(31,32)17-6-2-1-3-7-17)16-27-21(29)23(24-22(27)30)10-15-33-19-9-5-4-8-18(19)23/h1-9H,10-16H2,(H,24,30)
InChIKeySUHLNWWSMMSHRF-UHFFFAOYSA-N
MW484.53 g/mol
LogP0.75
Rot. Bonds4

About 3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 4850648) has the molecular formula C23H24N4O6S and a molecular weight of 484.53 g/mol. Its IUPAC name is 3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID4850648
Molecular FormulaC23H24N4O6S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC Name3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H24N4O6S/c28-20(25-11-13-26(14-12-25)34(31,32)17-6-2-1-3-7-17)16-27-21(29)23(24-22(27)30)10-15-33-19-9-5-4-8-18(19)23/h1-9H,10-16H2,(H,24,30)
InChIKeySUHLNWWSMMSHRF-UHFFFAOYSA-N
XLogP0.75
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
(4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 40882788
(4S)-3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 41155646
(5S)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylimidazolidine-2,4-dione
CID 97353832
(4S)-3'-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41167678
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2442742
3'-[2-oxo-2-(4-phenoxyphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46602131
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide
CID 2416765
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2442723
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409

Frequently Asked Questions

What is the IUPAC name of 3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 4850648) is 3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is SUHLNWWSMMSHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S/c28-20(25-11-13-26(14-12-25)34(31,32)17-6-2-1-3-7-17)16-27-21(29)23(24-22(27)30)10-15-33-19-9-5-4-8-18(19)23/h1-9H,10-16H2,(H,24,30).
What are the key properties of 3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 484.53 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 4850648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).