1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea

C12H17FN2O3S — CID 95626056

IUPAC1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c1-3-19(17,18)8-9(2)14-12(16)15-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,14,15,16)/t9-/m1/s1
InChIKeyJQIOHUKIBDMYCV-SECBINFHSA-N
MW288.34 g/mol
LogP1.77
Rot. Bonds5

About 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea

1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea (PubChem CID 95626056) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea
PubChem CID95626056
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c1-3-19(17,18)8-9(2)14-12(16)15-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,14,15,16)/t9-/m1/s1
InChIKeyJQIOHUKIBDMYCV-SECBINFHSA-N
XLogP1.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-3-(4-hydroxypentan-2-yl)urea
CID 113376612
1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)urea
CID 62089411
N-(1-ethylsulfonylpropan-2-yl)-4-fluoroaniline
CID 115916758
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
sodium;1-(4-fluorophenyl)-3-propan-2-ylsulfonylurea;hydride
CID 173290755
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
1-[(2S)-butan-2-yl]-3-(4-methylsulfanylphenyl)urea
CID 51945610
1-(1-amino-1-sulfanylidenebutan-2-yl)-3-(4-fluorophenyl)urea
CID 61124797
N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108958261
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
1-butan-2-yl-3-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778401
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea (CID 95626056) is 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea is CCS(=O)(=O)C[C@@H](C)NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea?
The InChIKey is JQIOHUKIBDMYCV-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-3-19(17,18)8-9(2)14-12(16)15-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,14,15,16)/t9-/m1/s1.
What are the key properties of 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea?
1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea has a molecular weight of 288.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 95626056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).