2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide

C19H16BrFN2O3S2 — CID 112827187

About 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide

2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide (PubChem CID 112827187) has the molecular formula C19H16BrFN2O3S2 and a molecular weight of 483.38 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
• PubChem CID: 112827187
• Molecular Formula: C19H16BrFN2O3S2
• Molecular Weight: 483.38 g/mol
• Exact Mass: 481.98
• IUPAC Name: 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
• SMILES: O=C(CS(=O)(=O)Cc1ccc(Br)cc1)/N=c1\sccn1Cc1ccccc1F
• InChI: InChI=1S/C19H16BrFN2O3S2/c20-16-7-5-14(6-8-16)12-28(25,26)13-18(24)22-19-23(9-10-27-19)11-15-3-1-2-4-17(15)21/h1-10H,11-13H2/b22-19-
• InChIKey: CGMHQIRLAYOETF-QOCHGBHMSA-N
• XLogP: 3.54
• TPSA: 68.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.38
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

The IUPAC name of 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide (CID 112827187) is 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide.

What is the SMILES notation for 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

The canonical SMILES for 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide is O=C(CS(=O)(=O)Cc1ccc(Br)cc1)/N=c1\sccn1Cc1ccccc1F.

What is the InChIKey of 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

The InChIKey is CGMHQIRLAYOETF-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H16BrFN2O3S2/c20-16-7-5-14(6-8-16)12-28(25,26)13-18(24)22-19-23(9-10-27-19)11-15-3-1-2-4-17(15)21/h1-10H,11-13H2/b22-19-.

What are the key properties of 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 483.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 112827187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).