1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea

C16H16F2N2O2S — CID 72688028

IUPAC1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(Nc1cccc(SC(F)F)c1)NC(CO)c1ccccc1
InChIInChI=1S/C16H16F2N2O2S/c17-15(18)23-13-8-4-7-12(9-13)19-16(22)20-14(10-21)11-5-2-1-3-6-11/h1-9,14-15,21H,10H2,(H2,19,20,22)
InChIKeyFUBWCXTYEYRLMD-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.86
Rot. Bonds6

About 1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 72688028) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID72688028
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(Nc1cccc(SC(F)F)c1)NC(CO)c1ccccc1
InChIInChI=1S/C16H16F2N2O2S/c17-15(18)23-13-8-4-7-12(9-13)19-16(22)20-14(10-21)11-5-2-1-3-6-11/h1-9,14-15,21H,10H2,(H2,19,20,22)
InChIKeyFUBWCXTYEYRLMD-UHFFFAOYSA-N
XLogP3.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 87003591
N-[3-(difluoromethylsulfanyl)phenyl]acetamide
CID 4963031
N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 56826961
4-[3-(difluoromethylsulfanyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133790
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
CID 119315962
1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 56593240

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 72688028) is 1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea is O=C(Nc1cccc(SC(F)F)c1)NC(CO)c1ccccc1.
What is the InChIKey of 1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is FUBWCXTYEYRLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c17-15(18)23-13-8-4-7-12(9-13)19-16(22)20-14(10-21)11-5-2-1-3-6-11/h1-9,14-15,21H,10H2,(H2,19,20,22).
What are the key properties of 1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 338.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 72688028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).