1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea

C20H25FN2O3S — CID 55922339

IUPAC1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCCN(C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O3S/c1-5-23(15(3)17-6-10-18(21)11-7-17)20(24)22-14(2)16-8-12-19(13-9-16)27(4,25)26/h6-15H,5H2,1-4H3,(H,22,24)
InChIKeyVRAWOONEPDKVQB-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.08
Rot. Bonds6

About 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea

1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea (PubChem CID 55922339) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea
PubChem CID55922339
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCCN(C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O3S/c1-5-23(15(3)17-6-10-18(21)11-7-17)20(24)22-14(2)16-8-12-19(13-9-16)27(4,25)26/h6-15H,5H2,1-4H3,(H,22,24)
InChIKeyVRAWOONEPDKVQB-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The IUPAC name of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea (CID 55922339) is 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The canonical SMILES for 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea is CCN(C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1)C(C)c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The InChIKey is VRAWOONEPDKVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-5-23(15(3)17-6-10-18(21)11-7-17)20(24)22-14(2)16-8-12-19(13-9-16)27(4,25)26/h6-15H,5H2,1-4H3,(H,22,24).
What are the key properties of 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea has a molecular weight of 392.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(4-methylsulfonylphenyl)ethyl]urea is sourced from PubChem (CID 55922339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).