1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea

C16H18N2O2S — CID 72930576

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea
SMILESCC(Cc1ccsc1)NC(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C16H18N2O2S/c1-11(6-12-4-5-21-10-12)17-16(19)18-15-3-2-13-8-20-9-14(13)7-15/h2-5,7,10-11H,6,8-9H2,1H3,(H2,17,18,19)
InChIKeyZWEIGXJXJMCDHQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.53
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea

1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea (PubChem CID 72930576) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea
PubChem CID72930576
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea
SMILESCC(Cc1ccsc1)NC(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C16H18N2O2S/c1-11(6-12-4-5-21-10-12)17-16(19)18-15-3-2-13-8-20-9-14(13)7-15/h2-5,7,10-11H,6,8-9H2,1H3,(H2,17,18,19)
InChIKeyZWEIGXJXJMCDHQ-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea (CID 72930576) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea is CC(Cc1ccsc1)NC(=O)Nc1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
The InChIKey is ZWEIGXJXJMCDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(6-12-4-5-21-10-12)17-16(19)18-15-3-2-13-8-20-9-14(13)7-15/h2-5,7,10-11H,6,8-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea has a molecular weight of 302.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea is sourced from PubChem (CID 72930576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).