CID 67066265

C24H27N3Na2O5S — CID 67066265

IUPAC—
SMILESCOc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.[Na].[Na]
InChIInChI=1S/C24H27N3O5S.2Na/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31;;/h6-15,26H,1-5H3,(H,25,28,29);;/b9-6+;;
InChIKeyZLAGJEHVBCNXOA-SWSRPJROSA-N
MW515.54 g/mol
LogP2.61
Rot. Bonds6

About CID 67066265

CID 67066265 (PubChem CID 67066265) has the molecular formula C24H27N3Na2O5S and a molecular weight of 515.54 g/mol.

Molecular Properties

Compound NameCID 67066265
PubChem CID67066265
Molecular FormulaC24H27N3Na2O5S
Molecular Weight515.54 g/mol
Exact Mass515.15
IUPAC Name—
SMILESCOc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.[Na].[Na]
InChIInChI=1S/C24H27N3O5S.2Na/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31;;/h6-15,26H,1-5H3,(H,25,28,29);;/b9-6+;;
InChIKeyZLAGJEHVBCNXOA-SWSRPJROSA-N
XLogP2.61
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide;hydrate
CID 67066554
N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 25234726
2-[2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]-5-(methanesulfonamido)benzamide
CID 67066553
1-[3-tert-butyl-4-methoxy-5-(2-phenylethenyl)phenyl]pyrimidine-2,4-dione
CID 67066424
N-[4-[2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]-3-(1,3-oxazol-2-yl)phenyl]methanesulfonamide
CID 67066518
1-[3-tert-butyl-4-methoxy-5-[2-(4-nitrophenyl)ethenyl]phenyl]pyrimidine-2,4-dione
CID 67066440
N-[4-[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)-3-(furan-2-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 25234720
N-[4-[2-[5-(2,4-dioxopyrimidin-1-yl)-2-methoxy-3-pyridin-3-ylphenyl]ethenyl]phenyl]methanesulfonamide
CID 67066478
N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 46841292
N-[4-[(E)-2-[3-tert-butyl-5-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 67070065
N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyrazin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 67427327
methyl 2-[2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]-5-nitrobenzoate
CID 67066448

Frequently Asked Questions

What is the IUPAC name of CID 67066265?
The IUPAC name of CID 67066265 (CID 67066265) is not available.
What is the SMILES notation for CID 67066265?
The canonical SMILES for CID 67066265 is COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.[Na].[Na].
What is the InChIKey of CID 67066265?
The InChIKey is ZLAGJEHVBCNXOA-SWSRPJROSA-N. The full InChI is InChI=1S/C24H27N3O5S.2Na/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31;;/h6-15,26H,1-5H3,(H,25,28,29);;/b9-6+;;.
What are the key properties of CID 67066265?
CID 67066265 has a molecular weight of 515.54 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67066265 is sourced from PubChem (CID 67066265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).