1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea

C17H25FN2O2S — CID 75374826

IUPAC1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
SMILESCSC1(CNC(=O)NC(C)Cc2cccc(F)c2)CCOCC1
InChIInChI=1S/C17H25FN2O2S/c1-13(10-14-4-3-5-15(18)11-14)20-16(21)19-12-17(23-2)6-8-22-9-7-17/h3-5,11,13H,6-10,12H2,1-2H3,(H2,19,20,21)
InChIKeyQFEIVSURINUYDO-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.97
Rot. Bonds6

About 1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea

1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea (PubChem CID 75374826) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
PubChem CID75374826
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC Name1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
SMILESCSC1(CNC(=O)NC(C)Cc2cccc(F)c2)CCOCC1
InChIInChI=1S/C17H25FN2O2S/c1-13(10-14-4-3-5-15(18)11-14)20-16(21)19-12-17(23-2)6-8-22-9-7-17/h3-5,11,13H,6-10,12H2,1-2H3,(H2,19,20,21)
InChIKeyQFEIVSURINUYDO-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Oxan-4-ylmethyl)-3-(3-phenylpropyl)urea
CID 108913037
1-Cycloheptyl-3-{[4-(4-fluorophenyl)oxan-4-yl]methyl}urea
CID 71796603
1-[1-(4-Fluorophenyl)ethyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71990752
1-[1-(3,4-Difluorophenyl)ethyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71990756
3-[(4-Methyloxan-4-YL)methyl]-1-(2-phenylethyl)urea
CID 71686920
1-phenethyl-3-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)urea
CID 86265250
1-benzhydryl-3-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)urea
CID 86265252
3-Methyl-3-[(oxan-4-YL)methyl]-1-(2-phenylethyl)urea
CID 91914989
3-(3-phenylpropyl)-1-(tetrahydro-2H-pyran-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 71796152
1-(Oxan-4-yl)-3-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 72137178
1-[2-(2,3-Difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea
CID 75381393
1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea
CID 128682857

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea?
The IUPAC name of 1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea (CID 75374826) is 1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea is CSC1(CNC(=O)NC(C)Cc2cccc(F)c2)CCOCC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea?
The InChIKey is QFEIVSURINUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c1-13(10-14-4-3-5-15(18)11-14)20-16(21)19-12-17(23-2)6-8-22-9-7-17/h3-5,11,13H,6-10,12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea?
1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea has a molecular weight of 340.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea is sourced from PubChem (CID 75374826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).