3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide

C15H18F3NO3S — CID 71998915

IUPAC3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide
SMILESCS(=O)(=O)CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C15H18F3NO3S/c1-23(21,22)9-6-13(20)19-14(7-3-8-14)11-4-2-5-12(10-11)15(16,17)18/h2,4-5,10H,3,6-9H2,1H3,(H,19,20)
InChIKeyAMPCLABNHKUXOJ-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.64
Rot. Bonds5

About 3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide

3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide (PubChem CID 71998915) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide
PubChem CID71998915
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC Name3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide
SMILESCS(=O)(=O)CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C15H18F3NO3S/c1-23(21,22)9-6-13(20)19-14(7-3-8-14)11-4-2-5-12(10-11)15(16,17)18/h2,4-5,10H,3,6-9H2,1H3,(H,19,20)
InChIKeyAMPCLABNHKUXOJ-UHFFFAOYSA-N
XLogP2.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide?
The IUPAC name of 3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide (CID 71998915) is 3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide?
The canonical SMILES for 3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide is CS(=O)(=O)CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide?
The InChIKey is AMPCLABNHKUXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c1-23(21,22)9-6-13(20)19-14(7-3-8-14)11-4-2-5-12(10-11)15(16,17)18/h2,4-5,10H,3,6-9H2,1H3,(H,19,20).
What are the key properties of 3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide?
3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide has a molecular weight of 349.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide is sourced from PubChem (CID 71998915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).