1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

C18H16N2O4S — CID 2049348

IUPAC1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCOc1cccc(N2C(=O)CC(=O)N(c3ccccc3OC)C2=S)c1
InChIInChI=1S/C18H16N2O4S/c1-23-13-7-5-6-12(10-13)19-16(21)11-17(22)20(18(19)25)14-8-3-4-9-15(14)24-2/h3-10H,11H2,1-2H3
InChIKeyZIALWGCOGZPNQK-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.76
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 2049348) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID2049348
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCOc1cccc(N2C(=O)CC(=O)N(c3ccccc3OC)C2=S)c1
InChIInChI=1S/C18H16N2O4S/c1-23-13-7-5-6-12(10-13)19-16(21)11-17(22)20(18(19)25)14-8-3-4-9-15(14)24-2/h3-10H,11H2,1-2H3
InChIKeyZIALWGCOGZPNQK-UHFFFAOYSA-N
XLogP2.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione
CID 14449114
4-methoxy-1-phenyl-3H-indol-2-one
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1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1380841
1,3-bis(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2798623
1-phenyl-3-pyridin-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 12036393
1-(2-methoxyphenyl)-4-phenylpiperidine-2,6-dione
CID 42628281
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
(3aS,6aS)-3-(2,5-dimethoxyphenyl)-5,5-dioxo-1-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 7119565
7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006327
5-(2-chloroacetyl)-1,3-bis(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15054938
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
3-(2-methoxyphenyl)-1-(3-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565222

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 2049348) is 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is COc1cccc(N2C(=O)CC(=O)N(c3ccccc3OC)C2=S)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is ZIALWGCOGZPNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-23-13-7-5-6-12(10-13)19-16(21)11-17(22)20(18(19)25)14-8-3-4-9-15(14)24-2/h3-10H,11H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 356.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 2049348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).