2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide

C24H23N3O3S2 — CID 2962752

IUPAC2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(CCc3cccs3)C2=S)cc1
InChIInChI=1S/C24H23N3O3S2/c1-30-19-11-9-18(10-12-19)27-23(29)21(16-22(28)25-17-6-3-2-4-7-17)26(24(27)31)14-13-20-8-5-15-32-20/h2-12,15,21H,13-14,16H2,1H3,(H,25,28)
InChIKeyRVOKAOHRJYWLAI-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.33
Rot. Bonds8

About 2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide

2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide (PubChem CID 2962752) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide
PubChem CID2962752
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC Name2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(CCc3cccs3)C2=S)cc1
InChIInChI=1S/C24H23N3O3S2/c1-30-19-11-9-18(10-12-19)27-23(29)21(16-22(28)25-17-6-3-2-4-7-17)26(24(27)31)14-13-20-8-5-15-32-20/h2-12,15,21H,13-14,16H2,1H3,(H,25,28)
InChIKeyRVOKAOHRJYWLAI-UHFFFAOYSA-N
XLogP4.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine-1,2-dicarboxylic acid 1-[(2-methoxy-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3219706
N-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598535
1-(4-Methoxyphenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 661792
3-(4-Ethoxyphenyl)-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2180088
Methyl [3-(4-methoxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2187911
2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide
CID 2953299
2-[3-isopropyl-5-oxo-1-(2-thienylmethyl)-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
CID 2982336
1-(4-Ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
CID 2997067
Pyrrolidine-1,2-dicarboxylic acid 1-[(2-ethoxy-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3230263
N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl]acetamide
CID 3773843
N'-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(thien-2-ylmethyl)thiourea
CID 4247047
N'-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-N-(thien-2-ylmethyl)thiourea
CID 4535571

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide (CID 2962752) is 2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide is COc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(CCc3cccs3)C2=S)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is RVOKAOHRJYWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-30-19-11-9-18(10-12-19)27-23(29)21(16-22(28)25-17-6-3-2-4-7-17)26(24(27)31)14-13-20-8-5-15-32-20/h2-12,15,21H,13-14,16H2,1H3,(H,25,28).
What are the key properties of 2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide?
2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 465.60 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 2962752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).