2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide

C25H26N4O2S — CID 19058113

IUPAC2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=S)N1C1CCCCC1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C25H26N4O2S/c30-23(27-18-12-11-17-13-14-26-21(17)15-18)16-22-24(31)29(20-9-5-2-6-10-20)25(32)28(22)19-7-3-1-4-8-19/h2,5-6,9-15,19,22,26H,1,3-4,7-8,16H2,(H,27,30)
InChIKeyXTMMUPGLFPTYQN-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.83
Rot. Bonds5

About 2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide

2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide (PubChem CID 19058113) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
PubChem CID19058113
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=S)N1C1CCCCC1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C25H26N4O2S/c30-23(27-18-12-11-17-13-14-26-21(17)15-18)16-22-24(31)29(20-9-5-2-6-10-20)25(32)28(22)19-7-3-1-4-8-19/h2,5-6,9-15,19,22,26H,1,3-4,7-8,16H2,(H,27,30)
InChIKeyXTMMUPGLFPTYQN-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058236
N-(1H-indol-6-yl)-2-[1-(4-methylphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 19058249
2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2984696
2-(3-cyclopentyl-2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 17118476
2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058349
N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 30239234
2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058336
N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 19058278
2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7373354
2-(3-tert-butyl-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058194
ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 40775283
2-[(4S)-3-(cyclohexylmethyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 125117891

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
The IUPAC name of 2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide (CID 19058113) is 2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide.
What is the SMILES notation for 2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
The canonical SMILES for 2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide is O=C(CC1C(=O)N(c2ccccc2)C(=S)N1C1CCCCC1)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
The InChIKey is XTMMUPGLFPTYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c30-23(27-18-12-11-17-13-14-26-21(17)15-18)16-22-24(31)29(20-9-5-2-6-10-20)25(32)28(22)19-7-3-1-4-8-19/h2,5-6,9-15,19,22,26H,1,3-4,7-8,16H2,(H,27,30).
What are the key properties of 2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide has a molecular weight of 446.58 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 19058113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).