HEGYPUMKTHXNGZ-NGFHQYDQSA-N

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

C₃₃H₃₆F₃N₃O₅S — CID 66788054

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

IUPACN-[2-[[(3R)-1-[4-hydroxy-4-[4-(3-methylsulfonylphenyl)phenyl]cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

SMILESCS(=O)(=O)c1cccc(-c2ccc(C3(O)CCC(N4CC[C@@H](NC(=O)CNC(=O)c5cccc(C(F)(F)F)c5)C4)CC3)cc2)c1

InChIInChI=1S/C33H36F3N3O5S/c1-45(43,44)29-7-3-4-23(19-29)22-8-10-25(11-9-22)32(42)15-12-28(13-16-32)39-17-14-27(21-39)38-30(40)20-37-31(41)24-5-2-6-26(18-24)33(34,35)36/h2-11,18-19,27-28,42H,12-17,20-21H2,1H3,(H,37,41)(H,38,40)/t27-,28?,32?/m1/s1

InChIKeyHEGYPUMKTHXNGZ-NGFHQYDQSA-N

MW643.73 g/mol

LogP4.53

Rot. Bonds8

About HEGYPUMKTHXNGZ-NGFHQYDQSA-N

HEGYPUMKTHXNGZ-NGFHQYDQSA-N (PubChem CID 66788054) has the molecular formula C₃₃H₃₆F₃N₃O₅S and a molecular weight of 643.73 g/mol. Its IUPAC name is N-[2-[[(3R)-1-[4-hydroxy-4-[4-(3-methylsulfonylphenyl)phenyl]cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name	HEGYPUMKTHXNGZ-NGFHQYDQSA-N
PubChem CID	66788054
Molecular Formula	C₃₃H₃₆F₃N₃O₅S
Molecular Weight	643.73 g/mol
Exact Mass	643.23
IUPAC Name	N-[2-[[(3R)-1-[4-hydroxy-4-[4-(3-methylsulfonylphenyl)phenyl]cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILES	CS(=O)(=O)c1cccc(-c2ccc(C3(O)CCC(N4CC[C@@H](NC(=O)CNC(=O)c5cccc(C(F)(F)F)c5)C4)CC3)cc2)c1
InChI	InChI=1S/C33H36F3N3O5S/c1-45(43,44)29-7-3-4-23(19-29)22-8-10-25(11-9-22)32(42)15-12-28(13-16-32)39-17-14-27(21-39)38-30(40)20-37-31(41)24-5-2-6-26(18-24)33(34,35)36/h2-11,18-19,27-28,42H,12-17,20-21H2,1H3,(H,37,41)(H,38,40)/t27-,28?,32?/m1/s1
InChIKey	HEGYPUMKTHXNGZ-NGFHQYDQSA-N
XLogP	4.53
TPSA	115.81 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.73
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of HEGYPUMKTHXNGZ-NGFHQYDQSA-N?

The IUPAC name of HEGYPUMKTHXNGZ-NGFHQYDQSA-N (CID 66788054) is N-[2-[[(3R)-1-[4-hydroxy-4-[4-(3-methylsulfonylphenyl)phenyl]cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for HEGYPUMKTHXNGZ-NGFHQYDQSA-N?

The canonical SMILES for HEGYPUMKTHXNGZ-NGFHQYDQSA-N is CS(=O)(=O)c1cccc(-c2ccc(C3(O)CCC(N4CC[C@@H](NC(=O)CNC(=O)c5cccc(C(F)(F)F)c5)C4)CC3)cc2)c1.

What is the InChIKey of HEGYPUMKTHXNGZ-NGFHQYDQSA-N?

The InChIKey is HEGYPUMKTHXNGZ-NGFHQYDQSA-N. The full InChI is InChI=1S/C33H36F3N3O5S/c1-45(43,44)29-7-3-4-23(19-29)22-8-10-25(11-9-22)32(42)15-12-28(13-16-32)39-17-14-27(21-39)38-30(40)20-37-31(41)24-5-2-6-26(18-24)33(34,35)36/h2-11,18-19,27-28,42H,12-17,20-21H2,1H3,(H,37,41)(H,38,40)/t27-,28?,32?/m1/s1.

What are the key properties of HEGYPUMKTHXNGZ-NGFHQYDQSA-N?

HEGYPUMKTHXNGZ-NGFHQYDQSA-N has a molecular weight of 643.73 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for HEGYPUMKTHXNGZ-NGFHQYDQSA-N is sourced from PubChem (CID 66788054), 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 66788054 — 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.