WCFJAYCTSWMLIM-UHFFFAOYSA-N

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

C₂₂H₁₉ClN₂OS — CID 67974208

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

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-2-ylmethyl)benzamide

SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccs2)cc1

InChIInChI=1S/C22H19ClN2OS/c23-18-7-8-21-20(13-18)17(14-25-21)9-10-24-22(26)16-5-3-15(4-6-16)12-19-2-1-11-27-19/h1-8,11,13-14,25H,9-10,12H2,(H,24,26)

InChIKeyWCFJAYCTSWMLIM-UHFFFAOYSA-N

MW394.93 g/mol

LogP5.45

Rot. Bonds6

About WCFJAYCTSWMLIM-UHFFFAOYSA-N

WCFJAYCTSWMLIM-UHFFFAOYSA-N (PubChem CID 67974208) has the molecular formula C₂₂H₁₉ClN₂OS and a molecular weight of 394.93 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name	WCFJAYCTSWMLIM-UHFFFAOYSA-N
PubChem CID	67974208
Molecular Formula	C₂₂H₁₉ClN₂OS
Molecular Weight	394.93 g/mol
Exact Mass	394.09
IUPAC Name	N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-2-ylmethyl)benzamide
SMILES	O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccs2)cc1
InChI	InChI=1S/C22H19ClN2OS/c23-18-7-8-21-20(13-18)17(14-25-21)9-10-24-22(26)16-5-3-15(4-6-16)12-19-2-1-11-27-19/h1-8,11,13-14,25H,9-10,12H2,(H,24,26)
InChIKey	WCFJAYCTSWMLIM-UHFFFAOYSA-N
XLogP	5.45
TPSA	44.89 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	6
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.93
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of WCFJAYCTSWMLIM-UHFFFAOYSA-N (CID 67974208) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-2-ylmethyl)benzamide.

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

The canonical SMILES for WCFJAYCTSWMLIM-UHFFFAOYSA-N is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccs2)cc1.

What is the InChIKey of WCFJAYCTSWMLIM-UHFFFAOYSA-N?

The InChIKey is WCFJAYCTSWMLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2OS/c23-18-7-8-21-20(13-18)17(14-25-21)9-10-24-22(26)16-5-3-15(4-6-16)12-19-2-1-11-27-19/h1-8,11,13-14,25H,9-10,12H2,(H,24,26).

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

WCFJAYCTSWMLIM-UHFFFAOYSA-N has a molecular weight of 394.93 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for WCFJAYCTSWMLIM-UHFFFAOYSA-N is sourced from PubChem (CID 67974208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 67974208 — identifiers, structure, computed properties (public domain)

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