5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

C27H24N2O2S — CID 3815704

IUPAC5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C27H24N2O2S/c30-25(21-16-15-19-9-7-8-10-20(19)17-21)18-24-26(31)29(23-13-5-2-6-14-23)27(32)28(24)22-11-3-1-4-12-22/h1-6,11-17,24H,7-10,18H2
InChIKeyLWANXKBOICVAER-UHFFFAOYSA-N
MW440.57 g/mol
LogP5.35
Rot. Bonds5

About 5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3815704) has the molecular formula C27H24N2O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3815704
Molecular FormulaC27H24N2O2S
Molecular Weight440.57 g/mol
Exact Mass440.16
IUPAC Name5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C27H24N2O2S/c30-25(21-16-15-19-9-7-8-10-20(19)17-21)18-24-26(31)29(23-13-5-2-6-14-23)27(32)28(24)22-11-3-1-4-12-22/h1-6,11-17,24H,7-10,18H2
InChIKeyLWANXKBOICVAER-UHFFFAOYSA-N
XLogP5.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (CID 3815704) is 5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is O=C(CC1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LWANXKBOICVAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2S/c30-25(21-16-15-19-9-7-8-10-20(19)17-21)18-24-26(31)29(23-13-5-2-6-14-23)27(32)28(24)22-11-3-1-4-12-22/h1-6,11-17,24H,7-10,18H2.
What are the key properties of 5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 440.57 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3815704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).