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

C13H19N3O3S — CID 113068483

IUPAC1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
SMILESCS(=O)(=O)N(CCNC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)16(12-5-3-2-4-6-12)10-9-14-13(17)15-11-7-8-11/h2-6,11H,7-10H2,1H3,(H2,14,15,17)
InChIKeyXUPALHDYRNLVIN-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.91
Rot. Bonds6

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

1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea (PubChem CID 113068483) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
PubChem CID113068483
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
SMILESCS(=O)(=O)N(CCNC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)16(12-5-3-2-4-6-12)10-9-14-13(17)15-11-7-8-11/h2-6,11H,7-10H2,1H3,(H2,14,15,17)
InChIKeyXUPALHDYRNLVIN-UHFFFAOYSA-N
XLogP0.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea
CID 113071523
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068580
1-cyclopropyl-3-[2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)ethyl]urea
CID 113071369
1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068655
1-[2-(2-cyano-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113072205
1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113071624
1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068475
1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
CID 113070457
methyl 3-[2-(cyclohexylcarbamoylamino)ethyl-methylsulfonylamino]benzoate
CID 113071198
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
CID 113069568
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea
CID 113067880

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea (CID 113068483) is 1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea is CS(=O)(=O)N(CCNC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea?
The InChIKey is XUPALHDYRNLVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-20(18,19)16(12-5-3-2-4-6-12)10-9-14-13(17)15-11-7-8-11/h2-6,11H,7-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea?
1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea has a molecular weight of 297.38 g/mol, XLogP of 0.91, 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-(N-methylsulfonylanilino)ethyl]urea is sourced from PubChem (CID 113068483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).