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

C18H17F3N4O3S2 — CID 2500191

IUPACN-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H17F3N4O3S2/c19-18(20,21)14-3-1-2-4-15(14)30(27,28)25-8-6-24(7-9-25)12-16(26)23-17-13(11-22)5-10-29-17/h1-5,10H,6-9,12H2,(H,23,26)
InChIKeyMAIPLMNUTNONBJ-UHFFFAOYSA-N
MW458.49 g/mol
LogP2.58
Rot. Bonds5

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

N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 2500191) has the molecular formula C18H17F3N4O3S2 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID2500191
Molecular FormulaC18H17F3N4O3S2
Molecular Weight458.49 g/mol
Exact Mass458.07
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H17F3N4O3S2/c19-18(20,21)14-3-1-2-4-15(14)30(27,28)25-8-6-24(7-9-25)12-16(26)23-17-13(11-22)5-10-29-17/h1-5,10H,6-9,12H2,(H,23,26)
InChIKeyMAIPLMNUTNONBJ-UHFFFAOYSA-N
XLogP2.58
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (CID 2500191) is N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is N#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is MAIPLMNUTNONBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3S2/c19-18(20,21)14-3-1-2-4-15(14)30(27,28)25-8-6-24(7-9-25)12-16(26)23-17-13(11-22)5-10-29-17/h1-5,10H,6-9,12H2,(H,23,26).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 458.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 2500191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).