YBNOENPNEZKJDV-UHFFFAOYSA-N

Name: YBNOENPNEZKJDV-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₃F₃N₄O₃S — CID 118112642

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2CCN(C(=O)c3ccccn3)CC2)s1

InChIInChI=1S/C24H23F3N4O3S/c25-24(26,27)34-20-7-2-1-5-17(20)15-29-22(32)21-9-8-18(35-21)16-30-11-13-31(14-12-30)23(33)19-6-3-4-10-28-19/h1-10H,11-16H2,(H,29,32)

InChIKeyYBNOENPNEZKJDV-UHFFFAOYSA-N

MW504.53 g/mol

LogP3.93

Rot. Bonds7

About YBNOENPNEZKJDV-UHFFFAOYSA-N

YBNOENPNEZKJDV-UHFFFAOYSA-N (PubChem CID 118112642) has the molecular formula C₂₄H₂₃F₃N₄O₃S and a molecular weight of 504.53 g/mol. Its IUPAC name is 5-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name	YBNOENPNEZKJDV-UHFFFAOYSA-N
PubChem CID	118112642
Molecular Formula	C₂₄H₂₃F₃N₄O₃S
Molecular Weight	504.53 g/mol
Exact Mass	504.14
IUPAC Name	5-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILES	O=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2CCN(C(=O)c3ccccn3)CC2)s1
InChI	InChI=1S/C24H23F3N4O3S/c25-24(26,27)34-20-7-2-1-5-17(20)15-29-22(32)21-9-8-18(35-21)16-30-11-13-31(14-12-30)23(33)19-6-3-4-10-28-19/h1-10H,11-16H2,(H,29,32)
InChIKey	YBNOENPNEZKJDV-UHFFFAOYSA-N
XLogP	3.93
TPSA	74.77 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.53
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of YBNOENPNEZKJDV-UHFFFAOYSA-N?

The IUPAC name of YBNOENPNEZKJDV-UHFFFAOYSA-N (CID 118112642) is 5-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for YBNOENPNEZKJDV-UHFFFAOYSA-N?

The canonical SMILES for YBNOENPNEZKJDV-UHFFFAOYSA-N is O=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2CCN(C(=O)c3ccccn3)CC2)s1.

What is the InChIKey of YBNOENPNEZKJDV-UHFFFAOYSA-N?

The InChIKey is YBNOENPNEZKJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3S/c25-24(26,27)34-20-7-2-1-5-17(20)15-29-22(32)21-9-8-18(35-21)16-30-11-13-31(14-12-30)23(33)19-6-3-4-10-28-19/h1-10H,11-16H2,(H,29,32).

What are the key properties of YBNOENPNEZKJDV-UHFFFAOYSA-N?

YBNOENPNEZKJDV-UHFFFAOYSA-N has a molecular weight of 504.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for YBNOENPNEZKJDV-UHFFFAOYSA-N is sourced from PubChem (CID 118112642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118112642 — identifiers, structure, computed properties (public domain)

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