N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide

C18H24F3N3O3S — CID 1450137

IUPACN-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCC1
InChIInChI=1S/C18H24F3N3O3S/c19-18(20,21)14-4-3-7-16(12-14)28(26,27)24-10-8-23(9-11-24)13-17(25)22-15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11,13H2,(H,22,25)
InChIKeyANFMOKCYCXQRNP-UHFFFAOYSA-N
MW419.47 g/mol
LogP2.07
Rot. Bonds5

About N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide

N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 1450137) has the molecular formula C18H24F3N3O3S and a molecular weight of 419.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID1450137
Molecular FormulaC18H24F3N3O3S
Molecular Weight419.47 g/mol
Exact Mass419.15
IUPAC NameN-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCC1
InChIInChI=1S/C18H24F3N3O3S/c19-18(20,21)14-4-3-7-16(12-14)28(26,27)24-10-8-23(9-11-24)13-17(25)22-15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11,13H2,(H,22,25)
InChIKeyANFMOKCYCXQRNP-UHFFFAOYSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (CID 1450137) is N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is ANFMOKCYCXQRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3S/c19-18(20,21)14-4-3-7-16(12-14)28(26,27)24-10-8-23(9-11-24)13-17(25)22-15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11,13H2,(H,22,25).
What are the key properties of N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 419.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 1450137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).