2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one

C26H24N2O5S — CID 66751194

IUPAC2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one
SMILESO=C1CCc2cc(N3CC(=O)N(Cc4ccccc4)S3(=O)=O)c(OCc3ccccc3)cc2C1
InChIInChI=1S/C26H24N2O5S/c29-23-12-11-21-14-24(25(15-22(21)13-23)33-18-20-9-5-2-6-10-20)27-17-26(30)28(34(27,31)32)16-19-7-3-1-4-8-19/h1-10,14-15H,11-13,16-18H2
InChIKeyMGZHUIQANUDKJZ-UHFFFAOYSA-N
MW476.55 g/mol
LogP3.42
Rot. Bonds6

About 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one

2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one (PubChem CID 66751194) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one
PubChem CID66751194
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one
SMILESO=C1CCc2cc(N3CC(=O)N(Cc4ccccc4)S3(=O)=O)c(OCc3ccccc3)cc2C1
InChIInChI=1S/C26H24N2O5S/c29-23-12-11-21-14-24(25(15-22(21)13-23)33-18-20-9-5-2-6-10-20)27-17-26(30)28(34(27,31)32)16-19-7-3-1-4-8-19/h1-10,14-15H,11-13,16-18H2
InChIKeyMGZHUIQANUDKJZ-UHFFFAOYSA-N
XLogP3.42
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one with MolForge

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl]-5-(2,2-dimethyl-6-phenylmethoxy-1,3-dihydroinden-5-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 66750786
5-(4-iodo-2-phenylmethoxyphenyl)-1,1-dioxo-2-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-3-one
CID 66756937
5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 66750740
1,1-dioxo-5-[2-phenylmethoxy-4-[(E)-2-pyrrolidin-3-ylethenyl]phenyl]-2-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-3-one
CID 68838281
7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one
CID 155103539
1,1-dioxo-5-[2-phenylmethoxy-4-[(E)-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethenyl]phenyl]-2-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-3-one
CID 68994521
5-[4-[2-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-2-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-3-one
CID 68838996
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one
CID 141228304
3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
tert-butyl N-[3-[3-phenylmethoxy-4-[1,1,4-trioxo-5-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-2-yl]phenyl]propyl]carbamate;zinc
CID 157472020
tert-butyl 2-acetamido-3-[3-phenylmethoxy-4-[1,1,4-trioxo-5-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-2-yl]phenyl]propanoate
CID 68994528

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one (CID 66751194) is 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one is O=C1CCc2cc(N3CC(=O)N(Cc4ccccc4)S3(=O)=O)c(OCc3ccccc3)cc2C1.
What is the InChIKey of 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one?
The InChIKey is MGZHUIQANUDKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c29-23-12-11-21-14-24(25(15-22(21)13-23)33-18-20-9-5-2-6-10-20)27-17-26(30)28(34(27,31)32)16-19-7-3-1-4-8-19/h1-10,14-15H,11-13,16-18H2.
What are the key properties of 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one?
2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one has a molecular weight of 476.55 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 66751194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).