1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea

C15H20N2O2S — CID 99840266

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea
SMILESCSC1(CNC(=O)Nc2ccc3c(c2)COC3)CCC1
InChIInChI=1S/C15H20N2O2S/c1-20-15(5-2-6-15)10-16-14(18)17-13-4-3-11-8-19-9-12(11)7-13/h3-4,7H,2,5-6,8-10H2,1H3,(H2,16,17,18)
InChIKeySCHFFOMZHFSRGP-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.12
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea

1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea (PubChem CID 99840266) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea
PubChem CID99840266
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea
SMILESCSC1(CNC(=O)Nc2ccc3c(c2)COC3)CCC1
InChIInChI=1S/C15H20N2O2S/c1-20-15(5-2-6-15)10-16-14(18)17-13-4-3-11-8-19-9-12(11)7-13/h3-4,7H,2,5-6,8-10H2,1H3,(H2,16,17,18)
InChIKeySCHFFOMZHFSRGP-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.12
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-methylsulfanylcyclobutyl)methyl]urea?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea (CID 99840266) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea is CSC1(CNC(=O)Nc2ccc3c(c2)COC3)CCC1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea?
The InChIKey is SCHFFOMZHFSRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-15(5-2-6-15)10-16-14(18)17-13-4-3-11-8-19-9-12(11)7-13/h3-4,7H,2,5-6,8-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(1-methylsulfanylcyclobutyl)methyl]urea has a molecular weight of 292.40 g/mol, XLogP of 3.12, 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-methylsulfanylcyclobutyl)methyl]urea is sourced from PubChem (CID 99840266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).