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

C21H24N4O2S — CID 4976513

IUPACN-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=S)N1CCc1ccncc1
InChIInChI=1S/C21H24N4O2S/c1-3-23-19(26)14-18-20(27)25(17-6-4-15(2)5-7-17)21(28)24(18)13-10-16-8-11-22-12-9-16/h4-9,11-12,18H,3,10,13-14H2,1-2H3,(H,23,26)
InChIKeyRYVMBYXJMZHDSN-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.46
Rot. Bonds7

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

N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 4976513) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID4976513
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=S)N1CCc1ccncc1
InChIInChI=1S/C21H24N4O2S/c1-3-23-19(26)14-18-20(27)25(17-6-4-15(2)5-7-17)21(28)24(18)13-10-16-8-11-22-12-9-16/h4-9,11-12,18H,3,10,13-14H2,1-2H3,(H,23,26)
InChIKeyRYVMBYXJMZHDSN-UHFFFAOYSA-N
XLogP2.46
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(2-pyridin-4-ylethyl)imidazolidin-4-yl]acetamide
CID 40774758
ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 2978526
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-pyridin-4-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 72546898
N-(1H-indol-6-yl)-2-[1-(4-methylphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 19058249
N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3844987
ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 4305320
2-[1-(4-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 46505424
N-ethyl-2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 40520466
2-[(4R)-3-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 92654245
ethyl 4-[(4S)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 41001876
ethyl 4-[(4R)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 41001877
N-(4-chlorophenyl)-2-[(4S)-1-(4-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 92654316

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 4976513) is N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is CCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=S)N1CCc1ccncc1.
What is the InChIKey of N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is RYVMBYXJMZHDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-3-23-19(26)14-18-20(27)25(17-6-4-15(2)5-7-17)21(28)24(18)13-10-16-8-11-22-12-9-16/h4-9,11-12,18H,3,10,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(4-methylphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4976513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).