1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea

C17H20N2O2S — CID 119064011

IUPAC1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea
SMILESCSc1ccc(CN(C(=O)NCc2ccoc2)C2CC2)cc1
InChIInChI=1S/C17H20N2O2S/c1-22-16-6-2-13(3-7-16)11-19(15-4-5-15)17(20)18-10-14-8-9-21-12-14/h2-3,6-9,12,15H,4-5,10-11H2,1H3,(H,18,20)
InChIKeyPJBRALUXVWSLKN-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.88
Rot. Bonds6

About 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea

1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea (PubChem CID 119064011) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea
PubChem CID119064011
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea
SMILESCSc1ccc(CN(C(=O)NCc2ccoc2)C2CC2)cc1
InChIInChI=1S/C17H20N2O2S/c1-22-16-6-2-13(3-7-16)11-19(15-4-5-15)17(20)18-10-14-8-9-21-12-14/h2-3,6-9,12,15H,4-5,10-11H2,1H3,(H,18,20)
InChIKeyPJBRALUXVWSLKN-UHFFFAOYSA-N
XLogP3.88
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea with MolForge

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Related Compounds

1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea
CID 110904170
1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea
CID 138023096
1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea
CID 71868361
4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 154770265
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914093
3-[(4-fluorophenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 68778887
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
N-cyclopropyl-1-ethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-3-carboxamide
CID 50979828
2-[3-[[cyclopropyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 119075110
1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-piperidin-4-ylurea
CID 68759202
1-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylsulfanylphenyl)urea
CID 42696418
1-cyclopropyl-3-(6-cyclopropylpyridazin-3-yl)-1-(furan-3-ylmethyl)urea
CID 146138751

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea (CID 119064011) is 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea is CSc1ccc(CN(C(=O)NCc2ccoc2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea?
The InChIKey is PJBRALUXVWSLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-22-16-6-2-13(3-7-16)11-19(15-4-5-15)17(20)18-10-14-8-9-21-12-14/h2-3,6-9,12,15H,4-5,10-11H2,1H3,(H,18,20).
What are the key properties of 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea?
1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea has a molecular weight of 316.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(furan-3-ylmethyl)-1-[(4-methylsulfanylphenyl)methyl]urea is sourced from PubChem (CID 119064011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).