2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide

C25H26N4O2S — CID 19058236

IUPAC2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
SMILESCc1ccc(N2C(=O)C(CC(=O)Nc3ccc4cc[nH]c4c3)N(C3CCCC3)C2=S)cc1
InChIInChI=1S/C25H26N4O2S/c1-16-6-10-20(11-7-16)29-24(31)22(28(25(29)32)19-4-2-3-5-19)15-23(30)27-18-9-8-17-12-13-26-21(17)14-18/h6-14,19,22,26H,2-5,15H2,1H3,(H,27,30)
InChIKeyGFJKUDRCJOSCLK-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.75
Rot. Bonds5

About 2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide

2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide (PubChem CID 19058236) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
PubChem CID19058236
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
SMILESCc1ccc(N2C(=O)C(CC(=O)Nc3ccc4cc[nH]c4c3)N(C3CCCC3)C2=S)cc1
InChIInChI=1S/C25H26N4O2S/c1-16-6-10-20(11-7-16)29-24(31)22(28(25(29)32)19-4-2-3-5-19)15-23(30)27-18-9-8-17-12-13-26-21(17)14-18/h6-14,19,22,26H,2-5,15H2,1H3,(H,27,30)
InChIKeyGFJKUDRCJOSCLK-UHFFFAOYSA-N
XLogP4.75
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.75
H-Bond Donors ≤ 52
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 2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The IUPAC name of 2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide (CID 19058236) is 2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide.
What is the SMILES notation for 2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The canonical SMILES for 2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide is Cc1ccc(N2C(=O)C(CC(=O)Nc3ccc4cc[nH]c4c3)N(C3CCCC3)C2=S)cc1.
What is the InChIKey of 2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The InChIKey is GFJKUDRCJOSCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-16-6-10-20(11-7-16)29-24(31)22(28(25(29)32)19-4-2-3-5-19)15-23(30)27-18-9-8-17-12-13-26-21(17)14-18/h6-14,19,22,26H,2-5,15H2,1H3,(H,27,30).
What are the key properties of 2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide has a molecular weight of 446.58 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 19058236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).