1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea

C11H15FN2O2S — CID 2826290

IUPAC1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCCSc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2S/c12-9-1-3-10(4-2-9)17-8-6-14-11(16)13-5-7-15/h1-4,15H,5-8H2,(H2,13,14,16)
InChIKeyFFDDNVDZMRZBIB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.21
Rot. Bonds6

About 1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea

1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea (PubChem CID 2826290) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea
PubChem CID2826290
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCCSc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2S/c12-9-1-3-10(4-2-9)17-8-6-14-11(16)13-5-7-15/h1-4,15H,5-8H2,(H2,13,14,16)
InChIKeyFFDDNVDZMRZBIB-UHFFFAOYSA-N
XLogP1.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2591492
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
1-[2-(Benzenesulfinyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 53614900
2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2591618
2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 16504454
N-(ethylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 16504456
(2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 2591684
(2S)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 2591686
2-(2-fluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 2591696
2-(4-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2629182
2-(4-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2635093
2-(4-fluorophenyl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 2635100

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea (CID 2826290) is 1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCCSc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea?
The InChIKey is FFDDNVDZMRZBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c12-9-1-3-10(4-2-9)17-8-6-14-11(16)13-5-7-15/h1-4,15H,5-8H2,(H2,13,14,16).
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea?
1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea has a molecular weight of 258.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 2826290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).