2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide

C28H20FN3O2S2 — CID 18899724

About 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide

2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 18899724) has the molecular formula C28H20FN3O2S2 and a molecular weight of 513.62 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
• PubChem CID: 18899724
• Molecular Formula: C28H20FN3O2S2
• Molecular Weight: 513.62 g/mol
• Exact Mass: 513.10
• IUPAC Name: 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
• SMILES: O=C(CSc1cccc(NC(=O)c2ccccc2F)c1)Nc1nc(-c2ccc3ccccc3c2)cs1
• InChI: InChI=1S/C28H20FN3O2S2/c29-24-11-4-3-10-23(24)27(34)30-21-8-5-9-22(15-21)35-17-26(33)32-28-31-25(16-36-28)20-13-12-18-6-1-2-7-19(18)14-20/h1-16H,17H2,(H,30,34)(H,31,32,33)
• InChIKey: IODHKCKIUZAJNE-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.62
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

The IUPAC name of 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide (CID 18899724) is 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

The canonical SMILES for 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide is O=C(CSc1cccc(NC(=O)c2ccccc2F)c1)Nc1nc(-c2ccc3ccccc3c2)cs1.

What is the InChIKey of 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

The InChIKey is IODHKCKIUZAJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN3O2S2/c29-24-11-4-3-10-23(24)27(34)30-21-8-5-9-22(15-21)35-17-26(33)32-28-31-25(16-36-28)20-13-12-18-6-1-2-7-19(18)14-20/h1-16H,17H2,(H,30,34)(H,31,32,33).

What are the key properties of 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 513.62 g/mol, XLogP of 7.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18899724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).