1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea

C13H18FN3O3S — CID 113071523

IUPAC1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea
SMILESCS(=O)(=O)N(CCNC(=O)NC1CC1)c1cccc(F)c1
InChIInChI=1S/C13H18FN3O3S/c1-21(19,20)17(12-4-2-3-10(14)9-12)8-7-15-13(18)16-11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H2,15,16,18)
InChIKeyRQGQQOLHQMVFOA-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.05
Rot. Bonds6

About 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea

1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea (PubChem CID 113071523) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea
PubChem CID113071523
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea
SMILESCS(=O)(=O)N(CCNC(=O)NC1CC1)c1cccc(F)c1
InChIInChI=1S/C13H18FN3O3S/c1-21(19,20)17(12-4-2-3-10(14)9-12)8-7-15-13(18)16-11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H2,15,16,18)
InChIKeyRQGQQOLHQMVFOA-UHFFFAOYSA-N
XLogP1.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]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-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
CID 113068483
1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068655
1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
CID 113070457
methyl 3-[2-(cyclohexylcarbamoylamino)ethyl-methylsulfonylamino]benzoate
CID 113071198
1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113071624
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068580
4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113071489
1-cyclopropyl-3-[2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)ethyl]urea
CID 113071369
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
CID 113069568
1-[2-(2-cyano-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113072205
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethoxybenzamide
CID 113071490
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113071507

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea (CID 113071523) is 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea is CS(=O)(=O)N(CCNC(=O)NC1CC1)c1cccc(F)c1.
What is the InChIKey of 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea?
The InChIKey is RQGQQOLHQMVFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-21(19,20)17(12-4-2-3-10(14)9-12)8-7-15-13(18)16-11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea?
1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea has a molecular weight of 315.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea is sourced from PubChem (CID 113071523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).