N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide

C15H15F3N2O4S — CID 75404799

IUPACN-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)COC2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O4S/c16-15(17,18)12-7-10(8-19)5-6-13(12)25(22,23)20-14(21)9-24-11-3-1-2-4-11/h5-7,11H,1-4,9H2,(H,20,21)
InChIKeyBCULINXYJZXHGA-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.34
Rot. Bonds5

About N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide

N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide (PubChem CID 75404799) has the molecular formula C15H15F3N2O4S and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide.

Molecular Properties

Compound NameN-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide
PubChem CID75404799
Molecular FormulaC15H15F3N2O4S
Molecular Weight376.36 g/mol
Exact Mass376.07
IUPAC NameN-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)COC2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O4S/c16-15(17,18)12-7-10(8-19)5-6-13(12)25(22,23)20-14(21)9-24-11-3-1-2-4-11/h5-7,11H,1-4,9H2,(H,20,21)
InChIKeyBCULINXYJZXHGA-UHFFFAOYSA-N
XLogP2.34
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide?
The IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide (CID 75404799) is N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide.
What is the SMILES notation for N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide?
The canonical SMILES for N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide is N#Cc1ccc(S(=O)(=O)NC(=O)COC2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide?
The InChIKey is BCULINXYJZXHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O4S/c16-15(17,18)12-7-10(8-19)5-6-13(12)25(22,23)20-14(21)9-24-11-3-1-2-4-11/h5-7,11H,1-4,9H2,(H,20,21).
What are the key properties of N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide?
N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide has a molecular weight of 376.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-cyclopentyloxyacetamide is sourced from PubChem (CID 75404799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).