2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide

C25H20ClN3O2S — CID 52501029

IUPAC2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide
SMILESO=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1scnc1-c1ccccc1
InChIInChI=1S/C25H20ClN3O2S/c26-20-14-8-7-13-19(20)24(31)28-21(17-9-3-1-4-10-17)15-22(30)29-25-23(27-16-32-25)18-11-5-2-6-12-18/h1-14,16,21H,15H2,(H,28,31)(H,29,30)/t21-/m1/s1
InChIKeyKANWQNSLIOAGJO-OAQYLSRUSA-N
MW461.97 g/mol
LogP5.96
Rot. Bonds7

About 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide

2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide (PubChem CID 52501029) has the molecular formula C25H20ClN3O2S and a molecular weight of 461.97 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide
PubChem CID52501029
Molecular FormulaC25H20ClN3O2S
Molecular Weight461.97 g/mol
Exact Mass461.10
IUPAC Name2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide
SMILESO=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1scnc1-c1ccccc1
InChIInChI=1S/C25H20ClN3O2S/c26-20-14-8-7-13-19(20)24(31)28-21(17-9-3-1-4-10-17)15-22(30)29-25-23(27-16-32-25)18-11-5-2-6-12-18/h1-14,16,21H,15H2,(H,28,31)(H,29,30)/t21-/m1/s1
InChIKeyKANWQNSLIOAGJO-OAQYLSRUSA-N
XLogP5.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide (CID 52501029) is 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide is O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1scnc1-c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide?
The InChIKey is KANWQNSLIOAGJO-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H20ClN3O2S/c26-20-14-8-7-13-19(20)24(31)28-21(17-9-3-1-4-10-17)15-22(30)29-25-23(27-16-32-25)18-11-5-2-6-12-18/h1-14,16,21H,15H2,(H,28,31)(H,29,30)/t21-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide?
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide has a molecular weight of 461.97 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide is sourced from PubChem (CID 52501029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).