4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

C32H27N3O2S2 — CID 18900568

About 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (PubChem CID 18900568) has the molecular formula C32H27N3O2S2 and a molecular weight of 549.72 g/mol. Its IUPAC name is 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
• PubChem CID: 18900568
• Molecular Formula: C32H27N3O2S2
• Molecular Weight: 549.72 g/mol
• Exact Mass: 549.15
• IUPAC Name: 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2cccc(SC(C(=O)Nc3nc(-c4ccccc4)c(C)s3)c3ccccc3)c2)cc1
• InChI: InChI=1S/C32H27N3O2S2/c1-21-16-18-25(19-17-21)30(36)33-26-14-9-15-27(20-26)39-29(24-12-7-4-8-13-24)31(37)35-32-34-28(22(2)38-32)23-10-5-3-6-11-23/h3-20,29H,1-2H3,(H,33,36)(H,34,35,37)
• InChIKey: FUSKPTFHZDCELK-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.72
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?

The IUPAC name of 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (CID 18900568) is 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.

What is the SMILES notation for 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?

The canonical SMILES for 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(SC(C(=O)Nc3nc(-c4ccccc4)c(C)s3)c3ccccc3)c2)cc1.

What is the InChIKey of 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?

The InChIKey is FUSKPTFHZDCELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O2S2/c1-21-16-18-25(19-17-21)30(36)33-26-14-9-15-27(20-26)39-29(24-12-7-4-8-13-24)31(37)35-32-34-28(22(2)38-32)23-10-5-3-6-11-23/h3-20,29H,1-2H3,(H,33,36)(H,34,35,37).

What are the key properties of 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?

4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide has a molecular weight of 549.72 g/mol, XLogP of 8.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18900568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).