1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea

C18H21FN2O4S — CID 60616240

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O4S/c1-26(23,24)12-11-25-17-4-2-3-16(13-17)21-18(22)20-10-9-14-5-7-15(19)8-6-14/h2-8,13H,9-12H2,1H3,(H2,20,21,22)
InChIKeyYCVDCPSVLFLYOY-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.61
Rot. Bonds8

About 1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea

1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea (PubChem CID 60616240) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
PubChem CID60616240
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O4S/c1-26(23,24)12-11-25-17-4-2-3-16(13-17)21-18(22)20-10-9-14-5-7-15(19)8-6-14/h2-8,13H,9-12H2,1H3,(H2,20,21,22)
InChIKeyYCVDCPSVLFLYOY-UHFFFAOYSA-N
XLogP2.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616101
1-[3-(cyanomethoxy)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51116764
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
N-[3-[2-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111229264
1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95299403
1-(4-fluorophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 52838200
1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
CID 60576890
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616401
N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
CID 119312153
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970338

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea (CID 60616240) is 1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea is CS(=O)(=O)CCOc1cccc(NC(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea?
The InChIKey is YCVDCPSVLFLYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-26(23,24)12-11-25-17-4-2-3-16(13-17)21-18(22)20-10-9-14-5-7-15(19)8-6-14/h2-8,13H,9-12H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea has a molecular weight of 380.44 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea is sourced from PubChem (CID 60616240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).