SJGHNKRUDQVOBT-UHFFFAOYSA-N

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

C₂₄H₂₃F₃N₄O₂S — CID 118112903

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

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

SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCN(C(=O)c3ccccn3)CC2)s1

InChIInChI=1S/C24H23F3N4O2S/c25-24(26,27)19-6-2-1-5-17(19)15-29-22(32)21-9-8-18(34-21)16-30-11-13-31(14-12-30)23(33)20-7-3-4-10-28-20/h1-10H,11-16H2,(H,29,32)

InChIKeySJGHNKRUDQVOBT-UHFFFAOYSA-N

MW488.54 g/mol

LogP4.05

Rot. Bonds6

About SJGHNKRUDQVOBT-UHFFFAOYSA-N

SJGHNKRUDQVOBT-UHFFFAOYSA-N (PubChem CID 118112903) has the molecular formula C₂₄H₂₃F₃N₄O₂S and a molecular weight of 488.54 g/mol. Its IUPAC name is 5-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name	SJGHNKRUDQVOBT-UHFFFAOYSA-N
PubChem CID	118112903
Molecular Formula	C₂₄H₂₃F₃N₄O₂S
Molecular Weight	488.54 g/mol
Exact Mass	488.15
IUPAC Name	5-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILES	O=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCN(C(=O)c3ccccn3)CC2)s1
InChI	InChI=1S/C24H23F3N4O2S/c25-24(26,27)19-6-2-1-5-17(19)15-29-22(32)21-9-8-18(34-21)16-30-11-13-31(14-12-30)23(33)20-7-3-4-10-28-20/h1-10H,11-16H2,(H,29,32)
InChIKey	SJGHNKRUDQVOBT-UHFFFAOYSA-N
XLogP	4.05
TPSA	65.54 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of SJGHNKRUDQVOBT-UHFFFAOYSA-N (CID 118112903) is 5-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

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

The canonical SMILES for SJGHNKRUDQVOBT-UHFFFAOYSA-N is O=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCN(C(=O)c3ccccn3)CC2)s1.

What is the InChIKey of SJGHNKRUDQVOBT-UHFFFAOYSA-N?

The InChIKey is SJGHNKRUDQVOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2S/c25-24(26,27)19-6-2-1-5-17(19)15-29-22(32)21-9-8-18(34-21)16-30-11-13-31(14-12-30)23(33)20-7-3-4-10-28-20/h1-10H,11-16H2,(H,29,32).

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

SJGHNKRUDQVOBT-UHFFFAOYSA-N has a molecular weight of 488.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for SJGHNKRUDQVOBT-UHFFFAOYSA-N is sourced from PubChem (CID 118112903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118112903 — identifiers, structure, computed properties (public domain)

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