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

C26H26N4O3S — CID 4918701

IUPACN-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(C)cc3)C(=S)N2Cc2ccccn2)cc1
InChIInChI=1S/C26H26N4O3S/c1-3-33-22-13-9-19(10-14-22)28-24(31)16-23-25(32)30(21-11-7-18(2)8-12-21)26(34)29(23)17-20-6-4-5-15-27-20/h4-15,23H,3,16-17H2,1-2H3,(H,28,31)
InChIKeyKYTPLXIVUZGRQO-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.32
Rot. Bonds8

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

N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 4918701) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID4918701
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(C)cc3)C(=S)N2Cc2ccccn2)cc1
InChIInChI=1S/C26H26N4O3S/c1-3-33-22-13-9-19(10-14-22)28-24(31)16-23-25(32)30(21-11-7-18(2)8-12-21)26(34)29(23)17-20-6-4-5-15-27-20/h4-15,23H,3,16-17H2,1-2H3,(H,28,31)
InChIKeyKYTPLXIVUZGRQO-UHFFFAOYSA-N
XLogP4.32
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.32
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

2-[1-(4-chlorophenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4918703
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4918702
2-[1-(3-chlorophenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4918706
N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4918705
ethyl 3-[[2-[(4R)-1-(4-ethoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 28701661
N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
CID 5093361
N-(4-ethoxyphenyl)-2-[5-oxo-1-phenyl-2-sulfanylidene-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-4-yl]acetamide
CID 3646679
N-(4-ethoxyphenyl)-2-[(4S)-1-(4-methylphenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701800
N-(4-ethoxyphenyl)-2-[(4R)-5-oxo-1-phenyl-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 41222162
N-(4-chlorophenyl)-2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3483312
methyl 2-[(5S)-5-[2-(4-bromoanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 27136844
N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774827

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 4918701) is N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(C)cc3)C(=S)N2Cc2ccccn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is KYTPLXIVUZGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-3-33-22-13-9-19(10-14-22)28-24(31)16-23-25(32)30(21-11-7-18(2)8-12-21)26(34)29(23)17-20-6-4-5-15-27-20/h4-15,23H,3,16-17H2,1-2H3,(H,28,31).
What are the key properties of N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 474.59 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4918701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).