2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide

C24H26ClN3O2S — CID 30961227

About 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide

2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide (PubChem CID 30961227) has the molecular formula C24H26ClN3O2S and a molecular weight of 456.01 g/mol. Its IUPAC name is 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide
• PubChem CID: 30961227
• Molecular Formula: C24H26ClN3O2S
• Molecular Weight: 456.01 g/mol
• Exact Mass: 455.14
• IUPAC Name: 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide
• SMILES: O=C(Nc1cccc(CNC[C@@H](c2cccs2)N2CCOCC2)c1)c1ccccc1Cl
• InChI: InChI=1S/C24H26ClN3O2S/c25-21-8-2-1-7-20(21)24(29)27-19-6-3-5-18(15-19)16-26-17-22(23-9-4-14-31-23)28-10-12-30-13-11-28/h1-9,14-15,22,26H,10-13,16-17H2,(H,27,29)/t22-/m0/s1
• InChIKey: UOJFUQMKAYQJQV-QFIPXVFZSA-N
• XLogP: 4.82
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.01
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide?

The IUPAC name of 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide (CID 30961227) is 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide.

What is the SMILES notation for 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide?

The canonical SMILES for 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide is O=C(Nc1cccc(CNC[C@@H](c2cccs2)N2CCOCC2)c1)c1ccccc1Cl.

What is the InChIKey of 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide?

The InChIKey is UOJFUQMKAYQJQV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26ClN3O2S/c25-21-8-2-1-7-20(21)24(29)27-19-6-3-5-18(15-19)16-26-17-22(23-9-4-14-31-23)28-10-12-30-13-11-28/h1-9,14-15,22,26H,10-13,16-17H2,(H,27,29)/t22-/m0/s1.

What are the key properties of 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide?

2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide has a molecular weight of 456.01 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 30961227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).