1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea

C18H22N2O2S — CID 86952438

IUPAC1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
SMILESCc1cc(CNC(=O)NCC2(Sc3ccccc3)CC2)c(C)o1
InChIInChI=1S/C18H22N2O2S/c1-13-10-15(14(2)22-13)11-19-17(21)20-12-18(8-9-18)23-16-6-4-3-5-7-16/h3-7,10H,8-9,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyHEAXKFBOEGQSBH-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.02
Rot. Bonds6

About 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea

1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea (PubChem CID 86952438) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
PubChem CID86952438
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
SMILESCc1cc(CNC(=O)NCC2(Sc3ccccc3)CC2)c(C)o1
InChIInChI=1S/C18H22N2O2S/c1-13-10-15(14(2)22-13)11-19-17(21)20-12-18(8-9-18)23-16-6-4-3-5-7-16/h3-7,10H,8-9,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyHEAXKFBOEGQSBH-UHFFFAOYSA-N
XLogP4.02
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
1-(naphthalen-1-ylmethyl)-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717033
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
1-(1H-indol-2-ylmethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 86904763
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111335746
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 86952267
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450680
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[3-(N-methylanilino)propyl]urea
CID 86952276
N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide
CID 71960718
N-[3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]phenyl]-4-methylbenzamide
CID 86952312
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
The IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea (CID 86952438) is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea is Cc1cc(CNC(=O)NCC2(Sc3ccccc3)CC2)c(C)o1.
What is the InChIKey of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
The InChIKey is HEAXKFBOEGQSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-10-15(14(2)22-13)11-19-17(21)20-12-18(8-9-18)23-16-6-4-3-5-7-16/h3-7,10H,8-9,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea has a molecular weight of 330.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea is sourced from PubChem (CID 86952438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).