1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea

C11H15FN2OS — CID 71844690

IUPAC1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea
SMILESCSC(C)CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H15FN2OS/c1-8(16-2)7-13-11(15)14-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyVWZNOGUQNXCLPV-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.70
Rot. Bonds4

About 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea

1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea (PubChem CID 71844690) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea
PubChem CID71844690
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea
SMILESCSC(C)CNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H15FN2OS/c1-8(16-2)7-13-11(15)14-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyVWZNOGUQNXCLPV-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)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

2-fluoro-5-(2-methylsulfanylpropylcarbamoylamino)benzoic acid
CID 113466748
1-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(3-fluorophenyl)urea
CID 76953085
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea
CID 61030478
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea (CID 71844690) is 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea is CSC(C)CNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea?
The InChIKey is VWZNOGUQNXCLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-8(16-2)7-13-11(15)14-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea?
1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea has a molecular weight of 242.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea is sourced from PubChem (CID 71844690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).