1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea

C18H16N2O3S — CID 2816299

IUPAC1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
SMILESO=C(NCC1COc2ccccc2O1)Nc1csc2ccccc12
InChIInChI=1S/C18H16N2O3S/c21-18(20-14-11-24-17-8-4-1-5-13(14)17)19-9-12-10-22-15-6-2-3-7-16(15)23-12/h1-8,11-12H,9-10H2,(H2,19,20,21)
InChIKeyYWCWLTIWCCBBMT-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.86
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea

1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea (PubChem CID 2816299) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
PubChem CID2816299
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
SMILESO=C(NCC1COc2ccccc2O1)Nc1csc2ccccc12
InChIInChI=1S/C18H16N2O3S/c21-18(20-14-11-24-17-8-4-1-5-13(14)17)19-9-12-10-22-15-6-2-3-7-16(15)23-12/h1-8,11-12H,9-10H2,(H2,19,20,21)
InChIKeyYWCWLTIWCCBBMT-UHFFFAOYSA-N
XLogP3.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea (CID 2816299) is 1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea is O=C(NCC1COc2ccccc2O1)Nc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea?
The InChIKey is YWCWLTIWCCBBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-18(20-14-11-24-17-8-4-1-5-13(14)17)19-9-12-10-22-15-6-2-3-7-16(15)23-12/h1-8,11-12H,9-10H2,(H2,19,20,21).
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea?
1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea has a molecular weight of 340.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea is sourced from PubChem (CID 2816299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).