1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea

C14H20N2O4S — CID 56823082

IUPAC1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea
SMILESCOCCN(C)C(=O)Nc1cc2c(cc1SC)OCCO2
InChIInChI=1S/C14H20N2O4S/c1-16(4-5-18-2)14(17)15-10-8-11-12(9-13(10)21-3)20-7-6-19-11/h8-9H,4-7H2,1-3H3,(H,15,17)
InChIKeyPAFAAVUXUZPJJF-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.29
Rot. Bonds5

About 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea

1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea (PubChem CID 56823082) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea
PubChem CID56823082
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea
SMILESCOCCN(C)C(=O)Nc1cc2c(cc1SC)OCCO2
InChIInChI=1S/C14H20N2O4S/c1-16(4-5-18-2)14(17)15-10-8-11-12(9-13(10)21-3)20-7-6-19-11/h8-9H,4-7H2,1-3H3,(H,15,17)
InChIKeyPAFAAVUXUZPJJF-UHFFFAOYSA-N
XLogP2.29
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea with MolForge

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Related Compounds

N-(3,4-dimethoxyphenyl)-N'-[2-(methylthio)phenyl]urea
CID 970129
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholinecarboxamide
CID 3613789
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethyl-4-morpholinecarboxamide
CID 3721742
1-(2-Methoxyethyl)-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea
CID 56823067
1-(6-Methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(oxolan-3-ylmethyl)urea
CID 72025068
N-(3,4-Dimethoxyphenyl)-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
CID 20907136
N,N-dimethyl-2-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoylamino]acetamide
CID 53601404
1-(6-Methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propylurea
CID 53622738
1-(Furan-2-ylmethyl)-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea
CID 56823066
2,2-Dimethyl-3-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoylamino]propanamide
CID 56823080
1,1-Diethyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea
CID 60214752
1-(1-Hydroxy-2-methylbutan-2-yl)-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea
CID 72105742

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea (CID 56823082) is 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea is COCCN(C)C(=O)Nc1cc2c(cc1SC)OCCO2.
What is the InChIKey of 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea?
The InChIKey is PAFAAVUXUZPJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-16(4-5-18-2)14(17)15-10-8-11-12(9-13(10)21-3)20-7-6-19-11/h8-9H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea?
1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea has a molecular weight of 312.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea is sourced from PubChem (CID 56823082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).