3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one

C17H16N2O4S — CID 71957879

IUPAC3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(OC)cc(N2C(=O)C(=Cc3ccco3)N(C)C2=S)c1
InChIInChI=1S/C17H16N2O4S/c1-18-15(10-12-5-4-6-23-12)16(20)19(17(18)24)11-7-13(21-2)9-14(8-11)22-3/h4-10H,1-3H3
InChIKeyFWRLKKSXVZOHMH-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.90
Rot. Bonds4

About 3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one

3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 71957879) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID71957879
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(OC)cc(N2C(=O)C(=Cc3ccco3)N(C)C2=S)c1
InChIInChI=1S/C17H16N2O4S/c1-18-15(10-12-5-4-6-23-12)16(20)19(17(18)24)11-7-13(21-2)9-14(8-11)22-3/h4-10H,1-3H3
InChIKeyFWRLKKSXVZOHMH-UHFFFAOYSA-N
XLogP2.90
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-(3,5-dimethoxyphenyl)-1-methyl-5-(pyridin-4-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 46102273
5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
CID 936275
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 1312192
(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126051696
3-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 1312699
(5Z)-3-(4-ethoxyphenyl)-1-methyl-2-sulfanylidene-5-[(2,4,5-trimethoxyphenyl)methylidene]imidazolidin-4-one
CID 126043382
(5Z)-5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126043660
(5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126046565
5-[(4,5-dimethoxy-2-methylphenyl)methylidene]-3-(4-ethoxyphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 4057870
5-(furan-2-ylmethylidene)-1,2,2,3-tetramethyl-1,3-diazinane-4,6-dione
CID 137477472
(5Z)-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126037395
(5Z)-5-[(2,7-diethoxynaphthalen-1-yl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126049522

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one (CID 71957879) is 3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one is COc1cc(OC)cc(N2C(=O)C(=Cc3ccco3)N(C)C2=S)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is FWRLKKSXVZOHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-18-15(10-12-5-4-6-23-12)16(20)19(17(18)24)11-7-13(21-2)9-14(8-11)22-3/h4-10H,1-3H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one?
3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 344.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 71957879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).