1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea

C12H17FN2O3S — CID 47481358

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H17FN2O3S/c1-19(17,18)8-7-15-12(16)14-6-5-10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3,(H2,14,15,16)
InChIKeyHOXOACAEAHXMGK-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.71
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea

1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea (PubChem CID 47481358) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
PubChem CID47481358
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H17FN2O3S/c1-19(17,18)8-7-15-12(16)14-6-5-10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3,(H2,14,15,16)
InChIKeyHOXOACAEAHXMGK-UHFFFAOYSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-(2-methylsulfonylethyl)guanidine
CID 111394843
1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108901254
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108901185
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334518
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea (CID 47481358) is 1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea is CS(=O)(=O)CCNC(=O)NCCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea?
The InChIKey is HOXOACAEAHXMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-19(17,18)8-7-15-12(16)14-6-5-10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea?
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea has a molecular weight of 288.34 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea is sourced from PubChem (CID 47481358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).