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

C21H30N4O4S — CID 3497564

IUPACN-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(CC)C(=S)N2CCN2CCOCC2)cc1
InChIInChI=1S/C21H30N4O4S/c1-3-24-20(27)18(25(21(24)30)10-9-23-11-13-28-14-12-23)15-19(26)22-16-5-7-17(8-6-16)29-4-2/h5-8,18H,3-4,9-15H2,1-2H3,(H,22,26)
InChIKeyQDBSMIQJRGEAFP-UHFFFAOYSA-N
MW434.56 g/mol
LogP1.56
Rot. Bonds9

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

N-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 3497564) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID3497564
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC NameN-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(CC)C(=S)N2CCN2CCOCC2)cc1
InChIInChI=1S/C21H30N4O4S/c1-3-24-20(27)18(25(21(24)30)10-9-23-11-13-28-14-12-23)15-19(26)22-16-5-7-17(8-6-16)29-4-2/h5-8,18H,3-4,9-15H2,1-2H3,(H,22,26)
InChIKeyQDBSMIQJRGEAFP-UHFFFAOYSA-N
XLogP1.56
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Ethoxyphenyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
CID 704671
2-(1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-(4-ethoxyphenyl)acetamide
CID 4270974
(2S)-4,4-dimethyl-2-(morpholin-4-ylcarbonylamino)-N-(2-{[4-(trifluoromethoxy)phenyl]amino}ethyl)pentanamide
CID 23648406
N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 2956602
1-(4-Ethoxyphenyl)-3-[(tetrahydro-2-furanylmethyl)amino]-2,5-pyrrolidinedione
CID 3139874
N-(1-acetylpiperidin-4-yl)-N-cyclopentyl-N'-(4-ethoxyphenyl)urea
CID 5001476
N-ethyl-2-[3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5294891
4-[(2,6-Dimethylmorpholin-4-yl)carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 6457883
1-(4-Methoxyphenyl)-4-(morpholin-4-ylcarbonyl)pyrrolidin-2-one
CID 6458630
1-(4-Ethoxyphenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 16194672
4-ethyl-N-(1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 16194673
3-[4-(4-Methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 660277

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 3497564) is N-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(CC)C(=S)N2CCN2CCOCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is QDBSMIQJRGEAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-3-24-20(27)18(25(21(24)30)10-9-23-11-13-28-14-12-23)15-19(26)22-16-5-7-17(8-6-16)29-4-2/h5-8,18H,3-4,9-15H2,1-2H3,(H,22,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 434.56 g/mol, XLogP of 1.56, 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-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 3497564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).