LYMZFQATHXDJNX-UHFFFAOYSA-N

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

C₂₃H₂₂ClN₃OS — CID 67974003

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

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

SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(CNCc2cccs2)c1

InChIInChI=1S/C23H22ClN3OS/c24-19-6-7-22-21(12-19)18(14-27-22)8-9-26-23(28)17-4-1-3-16(11-17)13-25-15-20-5-2-10-29-20/h1-7,10-12,14,25,27H,8-9,13,15H2,(H,26,28)

InChIKeyLYMZFQATHXDJNX-UHFFFAOYSA-N

MW423.97 g/mol

LogP5.15

Rot. Bonds8

About LYMZFQATHXDJNX-UHFFFAOYSA-N

LYMZFQATHXDJNX-UHFFFAOYSA-N (PubChem CID 67974003) has the molecular formula C₂₃H₂₂ClN₃OS and a molecular weight of 423.97 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(thiophen-2-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound Name	LYMZFQATHXDJNX-UHFFFAOYSA-N
PubChem CID	67974003
Molecular Formula	C₂₃H₂₂ClN₃OS
Molecular Weight	423.97 g/mol
Exact Mass	423.12
IUPAC Name	N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(thiophen-2-ylmethylamino)methyl]benzamide
SMILES	O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(CNCc2cccs2)c1
InChI	InChI=1S/C23H22ClN3OS/c24-19-6-7-22-21(12-19)18(14-27-22)8-9-26-23(28)17-4-1-3-16(11-17)13-25-15-20-5-2-10-29-20/h1-7,10-12,14,25,27H,8-9,13,15H2,(H,26,28)
InChIKey	LYMZFQATHXDJNX-UHFFFAOYSA-N
XLogP	5.15
TPSA	56.92 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	8
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.97
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of LYMZFQATHXDJNX-UHFFFAOYSA-N (CID 67974003) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(thiophen-2-ylmethylamino)methyl]benzamide.

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

The canonical SMILES for LYMZFQATHXDJNX-UHFFFAOYSA-N is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(CNCc2cccs2)c1.

What is the InChIKey of LYMZFQATHXDJNX-UHFFFAOYSA-N?

The InChIKey is LYMZFQATHXDJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3OS/c24-19-6-7-22-21(12-19)18(14-27-22)8-9-26-23(28)17-4-1-3-16(11-17)13-25-15-20-5-2-10-29-20/h1-7,10-12,14,25,27H,8-9,13,15H2,(H,26,28).

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

LYMZFQATHXDJNX-UHFFFAOYSA-N has a molecular weight of 423.97 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for LYMZFQATHXDJNX-UHFFFAOYSA-N is sourced from PubChem (CID 67974003), 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 67974003 — identifiers, structure, computed properties (public domain)

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