2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide

C26H24ClN3O2S — CID 29010399

IUPAC2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1CCc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O2S/c27-21-11-13-22(14-12-21)28-24(31)17-23-25(32)30(18-20-9-5-2-6-10-20)26(33)29(23)16-15-19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,28,31)/t23-/m0/s1
InChIKeyHMPBCBDKZXHVEI-QHCPKHFHSA-N
MW478.02 g/mol
LogP4.91
Rot. Bonds8

About 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide

2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 29010399) has the molecular formula C26H24ClN3O2S and a molecular weight of 478.02 g/mol. Its IUPAC name is 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
PubChem CID29010399
Molecular FormulaC26H24ClN3O2S
Molecular Weight478.02 g/mol
Exact Mass477.13
IUPAC Name2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1CCc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O2S/c27-21-11-13-22(14-12-21)28-24(31)17-23-25(32)30(18-20-9-5-2-6-10-20)26(33)29(23)16-15-19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,28,31)/t23-/m0/s1
InChIKeyHMPBCBDKZXHVEI-QHCPKHFHSA-N
XLogP4.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.02
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)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-[(4S)-1-benzyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
CID 25305135
2-[3-[(4-chlorophenyl)methyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4047613
2-[3-[(4-chlorophenyl)methyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3288725
2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4012319
2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4202324
methyl 4-[[2-[1-benzyl-3-[(4-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4140240
ethyl 4-[[2-[3-[(4-chlorophenyl)methyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4138871
2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 5107080
2-[(4S)-1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 7025975
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 28776817
methyl 4-[[2-[(4R)-5-oxo-1,3-bis(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 40971822
2-[1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 3457715

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide (CID 29010399) is 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide is O=C(C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1CCc1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is HMPBCBDKZXHVEI-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24ClN3O2S/c27-21-11-13-22(14-12-21)28-24(31)17-23-25(32)30(18-20-9-5-2-6-10-20)26(33)29(23)16-15-19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,28,31)/t23-/m0/s1.
What are the key properties of 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide?
2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 478.02 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 29010399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).