USLLLAUDJFNFNU-AWEZNQCLSA-N

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

C₂₃H₁₇F₃N₂O₂S — CID 155213918

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

IUPACN-[(1S)-1-pyridin-2-ylethyl]-7-[4-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide

SMILESC[C@H](NC(=O)c1cc2cccc(Oc3ccc(C(F)(F)F)cc3)c2s1)c1ccccn1

InChIInChI=1S/C23H17F3N2O2S/c1-14(18-6-2-3-12-27-18)28-22(29)20-13-15-5-4-7-19(21(15)31-20)30-17-10-8-16(9-11-17)23(24,25)26/h2-14H,1H3,(H,28,29)/t14-/m0/s1

InChIKeyUSLLLAUDJFNFNU-AWEZNQCLSA-N

MW442.46 g/mol

LogP6.60

Rot. Bonds5

About USLLLAUDJFNFNU-AWEZNQCLSA-N

USLLLAUDJFNFNU-AWEZNQCLSA-N (PubChem CID 155213918) has the molecular formula C₂₃H₁₇F₃N₂O₂S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]-7-[4-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name	USLLLAUDJFNFNU-AWEZNQCLSA-N
PubChem CID	155213918
Molecular Formula	C₂₃H₁₇F₃N₂O₂S
Molecular Weight	442.46 g/mol
Exact Mass	442.10
IUPAC Name	N-[(1S)-1-pyridin-2-ylethyl]-7-[4-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide
SMILES	C[C@H](NC(=O)c1cc2cccc(Oc3ccc(C(F)(F)F)cc3)c2s1)c1ccccn1
InChI	InChI=1S/C23H17F3N2O2S/c1-14(18-6-2-3-12-27-18)28-22(29)20-13-15-5-4-7-19(21(15)31-20)30-17-10-8-16(9-11-17)23(24,25)26/h2-14H,1H3,(H,28,29)/t14-/m0/s1
InChIKey	USLLLAUDJFNFNU-AWEZNQCLSA-N
XLogP	6.60
TPSA	51.22 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.46
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of USLLLAUDJFNFNU-AWEZNQCLSA-N?

The IUPAC name of USLLLAUDJFNFNU-AWEZNQCLSA-N (CID 155213918) is N-[(1S)-1-pyridin-2-ylethyl]-7-[4-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide.

What is the SMILES notation for USLLLAUDJFNFNU-AWEZNQCLSA-N?

The canonical SMILES for USLLLAUDJFNFNU-AWEZNQCLSA-N is C[C@H](NC(=O)c1cc2cccc(Oc3ccc(C(F)(F)F)cc3)c2s1)c1ccccn1.

What is the InChIKey of USLLLAUDJFNFNU-AWEZNQCLSA-N?

The InChIKey is USLLLAUDJFNFNU-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H17F3N2O2S/c1-14(18-6-2-3-12-27-18)28-22(29)20-13-15-5-4-7-19(21(15)31-20)30-17-10-8-16(9-11-17)23(24,25)26/h2-14H,1H3,(H,28,29)/t14-/m0/s1.

What are the key properties of USLLLAUDJFNFNU-AWEZNQCLSA-N?

USLLLAUDJFNFNU-AWEZNQCLSA-N has a molecular weight of 442.46 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for USLLLAUDJFNFNU-AWEZNQCLSA-N is sourced from PubChem (CID 155213918), 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 155213918 — identifiers, structure, computed properties (public domain)

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