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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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).