2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one

C19H18N2O3S — CID 90837717

IUPAC2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
SMILESCOc1cccc(C2CC3(NC(=S)NC3=O)c3cc(C)ccc3O2)c1
InChIInChI=1S/C19H18N2O3S/c1-11-6-7-15-14(8-11)19(17(22)20-18(25)21-19)10-16(24-15)12-4-3-5-13(9-12)23-2/h3-9,16H,10H2,1-2H3,(H2,20,21,22,25)
InChIKeyLLGRYYXVNHJCMZ-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.73
Rot. Bonds2

About 2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one

2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one (PubChem CID 90837717) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
PubChem CID90837717
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
SMILESCOc1cccc(C2CC3(NC(=S)NC3=O)c3cc(C)ccc3O2)c1
InChIInChI=1S/C19H18N2O3S/c1-11-6-7-15-14(8-11)19(17(22)20-18(25)21-19)10-16(24-15)12-4-3-5-13(9-12)23-2/h3-9,16H,10H2,1-2H3,(H2,20,21,22,25)
InChIKeyLLGRYYXVNHJCMZ-UHFFFAOYSA-N
XLogP2.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione
CID 10526991
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116837497
5-(3-methoxyphenyl)-1,3-oxazolidine
CID 82280696
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
(2S)-2-(3-methoxyphenyl)-5-methylmorpholine
CID 134607229
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane
CID 70895225
(2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione
CID 125430159
propan-2-yl (4S)-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 958458
(1R,4R,6S)-4-(3-methoxyphenyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 100945526
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one (CID 90837717) is 2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one is COc1cccc(C2CC3(NC(=S)NC3=O)c3cc(C)ccc3O2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
The InChIKey is LLGRYYXVNHJCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-11-6-7-15-14(8-11)19(17(22)20-18(25)21-19)10-16(24-15)12-4-3-5-13(9-12)23-2/h3-9,16H,10H2,1-2H3,(H2,20,21,22,25).
What are the key properties of 2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one?
2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one has a molecular weight of 354.43 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 90837717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).