PYPYVGRIANGTIQ-ZDUSSCGKSA-N

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

C₂₃H₁₈F₄N₄O₄S — CID 122685717

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

IUPAC(2S)-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide

SMILESC[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1

InChIInChI=1S/C23H18F4N4O4S/c1-13(31-36(33,34)21-10-15-8-17(24)3-5-20(15)35-21)22(32)30-12-18-9-14(6-7-28-18)19-4-2-16(11-29-19)23(25,26)27/h2-11,13,31H,12H2,1H3,(H,30,32)/t13-/m0/s1

InChIKeyPYPYVGRIANGTIQ-ZDUSSCGKSA-N

MW522.48 g/mol

LogP4.03

Rot. Bonds7

About PYPYVGRIANGTIQ-ZDUSSCGKSA-N

PYPYVGRIANGTIQ-ZDUSSCGKSA-N (PubChem CID 122685717) has the molecular formula C₂₃H₁₈F₄N₄O₄S and a molecular weight of 522.48 g/mol. Its IUPAC name is (2S)-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name	PYPYVGRIANGTIQ-ZDUSSCGKSA-N
PubChem CID	122685717
Molecular Formula	C₂₃H₁₈F₄N₄O₄S
Molecular Weight	522.48 g/mol
Exact Mass	522.10
IUPAC Name	(2S)-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide
SMILES	C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1
InChI	InChI=1S/C23H18F4N4O4S/c1-13(31-36(33,34)21-10-15-8-17(24)3-5-20(15)35-21)22(32)30-12-18-9-14(6-7-28-18)19-4-2-16(11-29-19)23(25,26)27/h2-11,13,31H,12H2,1H3,(H,30,32)/t13-/m0/s1
InChIKey	PYPYVGRIANGTIQ-ZDUSSCGKSA-N
XLogP	4.03
TPSA	114.19 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.48
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of PYPYVGRIANGTIQ-ZDUSSCGKSA-N?

The IUPAC name of PYPYVGRIANGTIQ-ZDUSSCGKSA-N (CID 122685717) is (2S)-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide.

What is the SMILES notation for PYPYVGRIANGTIQ-ZDUSSCGKSA-N?

The canonical SMILES for PYPYVGRIANGTIQ-ZDUSSCGKSA-N is C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1.

What is the InChIKey of PYPYVGRIANGTIQ-ZDUSSCGKSA-N?

The InChIKey is PYPYVGRIANGTIQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H18F4N4O4S/c1-13(31-36(33,34)21-10-15-8-17(24)3-5-20(15)35-21)22(32)30-12-18-9-14(6-7-28-18)19-4-2-16(11-29-19)23(25,26)27/h2-11,13,31H,12H2,1H3,(H,30,32)/t13-/m0/s1.

What are the key properties of PYPYVGRIANGTIQ-ZDUSSCGKSA-N?

PYPYVGRIANGTIQ-ZDUSSCGKSA-N has a molecular weight of 522.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for PYPYVGRIANGTIQ-ZDUSSCGKSA-N is sourced from PubChem (CID 122685717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 122685717 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.