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

C19H21N3O4S — CID 2951582

IUPAC2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(Cc2ccco2)C1=S
InChIInChI=1S/C19H21N3O4S/c1-3-21-18(24)16(22(19(21)27)12-15-5-4-10-26-15)11-17(23)20-13-6-8-14(25-2)9-7-13/h4-10,16H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyNHWOYRRCLXNRCZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.63
Rot. Bonds7

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

2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 2951582) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID2951582
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(Cc2ccco2)C1=S
InChIInChI=1S/C19H21N3O4S/c1-3-21-18(24)16(22(19(21)27)12-15-5-4-10-26-15)11-17(23)20-13-6-8-14(25-2)9-7-13/h4-10,16H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyNHWOYRRCLXNRCZ-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 2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (CID 2951582) is 2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is CCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(Cc2ccco2)C1=S.
What is the InChIKey of 2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is NHWOYRRCLXNRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-3-21-18(24)16(22(19(21)27)12-15-5-4-10-26-15)11-17(23)20-13-6-8-14(25-2)9-7-13/h4-10,16H,3,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)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 2-[1-ethyl-3-(furan-2-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2951582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).