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

C19H21N3O4S — CID 3540332

IUPACN-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2Cc2ccco2)cc1
InChIInChI=1S/C19H21N3O4S/c1-3-25-14-8-6-13(7-9-14)20-17(23)11-16-18(24)21(2)19(27)22(16)12-15-5-4-10-26-15/h4-10,16H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyKIZHNYCOEGVSPP-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.63
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 3540332) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID3540332
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2Cc2ccco2)cc1
InChIInChI=1S/C19H21N3O4S/c1-3-25-14-8-6-13(7-9-14)20-17(23)11-16-18(24)21(2)19(27)22(16)12-15-5-4-10-26-15/h4-10,16H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyKIZHNYCOEGVSPP-UHFFFAOYSA-N
XLogP2.63
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 3540332) is N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2Cc2ccco2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is KIZHNYCOEGVSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-3-25-14-8-6-13(7-9-14)20-17(23)11-16-18(24)21(2)19(27)22(16)12-15-5-4-10-26-15/h4-10,16H,3,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[3-(furan-2-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 3540332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).