N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide

C26H26N4O4S — CID 4918705

IUPACN-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=S)N2Cc2ccccn2)cc1
InChIInChI=1S/C26H26N4O4S/c1-3-34-21-12-10-18(11-13-21)28-24(31)16-23-25(32)30(20-8-6-9-22(15-20)33-2)26(35)29(23)17-19-7-4-5-14-27-19/h4-15,23H,3,16-17H2,1-2H3,(H,28,31)
InChIKeyPSDQNPACRIIRRA-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.02
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 4918705) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID4918705
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=S)N2Cc2ccccn2)cc1
InChIInChI=1S/C26H26N4O4S/c1-3-34-21-12-10-18(11-13-21)28-24(31)16-23-25(32)30(20-8-6-9-22(15-20)33-2)26(35)29(23)17-19-7-4-5-14-27-19/h4-15,23H,3,16-17H2,1-2H3,(H,28,31)
InChIKeyPSDQNPACRIIRRA-UHFFFAOYSA-N
XLogP4.02
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-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-[1-(3-chlorophenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4918706
N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 3165083
N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4918701
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4918702
2-[1-(4-chlorophenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4918703
2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
CID 3165084
N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5213462
2-[1-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4199018
2-[3-benzyl-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 3400041
2-[(4R)-3-(2-acetamidoethyl)-1-(3-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 92654367
N-(4-methoxyphenyl)-2-[(4R)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 40807784
2-[(4R)-3-[(2-chlorophenyl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide
CID 41165122

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 4918705) is N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=S)N2Cc2ccccn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is PSDQNPACRIIRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-3-34-21-12-10-18(11-13-21)28-24(31)16-23-25(32)30(20-8-6-9-22(15-20)33-2)26(35)29(23)17-19-7-4-5-14-27-19/h4-15,23H,3,16-17H2,1-2H3,(H,28,31).
What are the key properties of N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 490.59 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4918705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).