KTWLHRLPKPODIO-UHFFFAOYSA-N

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

C₂₂H₁₉ClN₂OS — CID 86699432

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

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

SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccsc2)c1

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

InChIKeyKTWLHRLPKPODIO-UHFFFAOYSA-N

MW394.93 g/mol

LogP5.45

Rot. Bonds6

About KTWLHRLPKPODIO-UHFFFAOYSA-N

KTWLHRLPKPODIO-UHFFFAOYSA-N (PubChem CID 86699432) 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]-3-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name	KTWLHRLPKPODIO-UHFFFAOYSA-N
PubChem CID	86699432
Molecular Formula	C₂₂H₁₉ClN₂OS
Molecular Weight	394.93 g/mol
Exact Mass	394.09
IUPAC Name	N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-3-ylmethyl)benzamide
SMILES	O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccsc2)c1
InChI	InChI=1S/C22H19ClN2OS/c23-19-4-5-21-20(12-19)18(13-25-21)6-8-24-22(26)17-3-1-2-15(11-17)10-16-7-9-27-14-16/h1-5,7,9,11-14,25H,6,8,10H2,(H,24,26)
InChIKey	KTWLHRLPKPODIO-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 KTWLHRLPKPODIO-UHFFFAOYSA-N?

The IUPAC name of KTWLHRLPKPODIO-UHFFFAOYSA-N (CID 86699432) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(thiophen-3-ylmethyl)benzamide.

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

The canonical SMILES for KTWLHRLPKPODIO-UHFFFAOYSA-N is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccsc2)c1.

What is the InChIKey of KTWLHRLPKPODIO-UHFFFAOYSA-N?

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

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

KTWLHRLPKPODIO-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 KTWLHRLPKPODIO-UHFFFAOYSA-N is sourced from PubChem (CID 86699432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 86699432 — identifiers, structure, computed properties (public domain)

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