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

C28H26N4O3S — CID 19058278

IUPACN-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCOc1ccccc1N1C(=O)C(CC(=O)Nc2ccc3cc[nH]c3c2)N(C(C)c2ccccc2)C1=S
InChIInChI=1S/C28H26N4O3S/c1-18(19-8-4-3-5-9-19)31-24(17-26(33)30-21-13-12-20-14-15-29-22(20)16-21)27(34)32(28(31)36)23-10-6-7-11-25(23)35-2/h3-16,18,24,29H,17H2,1-2H3,(H,30,33)
InChIKeyFXDRSPITUJHLIJ-UHFFFAOYSA-N
MW498.61 g/mol
LogP5.27
Rot. Bonds7

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

N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 19058278) has the molecular formula C28H26N4O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID19058278
Molecular FormulaC28H26N4O3S
Molecular Weight498.61 g/mol
Exact Mass498.17
IUPAC NameN-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCOc1ccccc1N1C(=O)C(CC(=O)Nc2ccc3cc[nH]c3c2)N(C(C)c2ccccc2)C1=S
InChIInChI=1S/C28H26N4O3S/c1-18(19-8-4-3-5-9-19)31-24(17-26(33)30-21-13-12-20-14-15-29-22(20)16-21)27(34)32(28(31)36)23-10-6-7-11-25(23)35-2/h3-16,18,24,29H,17H2,1-2H3,(H,30,33)
InChIKeyFXDRSPITUJHLIJ-UHFFFAOYSA-N
XLogP5.27
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.61
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058113
N-(1H-indol-6-yl)-2-[1-(4-methylphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 19058249
2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058236
2-(3-tert-butyl-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058194
2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058349
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 91637557
N-(1H-indol-6-yl)-2-(4-methoxyindol-1-yl)acetamide
CID 52905291
2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058182
2-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1H-indol-6-yl)acetamide
CID 19058700
2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058200
2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058337
N-(1H-indol-5-yl)-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210248

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 19058278) is N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is COc1ccccc1N1C(=O)C(CC(=O)Nc2ccc3cc[nH]c3c2)N(C(C)c2ccccc2)C1=S.
What is the InChIKey of N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is FXDRSPITUJHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3S/c1-18(19-8-4-3-5-9-19)31-24(17-26(33)30-21-13-12-20-14-15-29-22(20)16-21)27(34)32(28(31)36)23-10-6-7-11-25(23)35-2/h3-16,18,24,29H,17H2,1-2H3,(H,30,33).
What are the key properties of N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 498.61 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 19058278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).