4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide

C27H23FN2O2S — CID 19299956

About 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide

4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide (PubChem CID 19299956) has the molecular formula C27H23FN2O2S and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
• PubChem CID: 19299956
• Molecular Formula: C27H23FN2O2S
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.15
• IUPAC Name: 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
• SMILES: O=C(Nc1cccc(SCC(=O)n2c3c(c4ccccc42)CCCC3)c1)c1ccc(F)cc1
• InChI: InChI=1S/C27H23FN2O2S/c28-19-14-12-18(13-15-19)27(32)29-20-6-5-7-21(16-20)33-17-26(31)30-24-10-3-1-8-22(24)23-9-2-4-11-25(23)30/h1,3,5-8,10,12-16H,2,4,9,11,17H2,(H,29,32)
• InChIKey: KCPZVGZKPXQECZ-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide?

The IUPAC name of 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide (CID 19299956) is 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide?

The canonical SMILES for 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide is O=C(Nc1cccc(SCC(=O)n2c3c(c4ccccc42)CCCC3)c1)c1ccc(F)cc1.

What is the InChIKey of 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide?

The InChIKey is KCPZVGZKPXQECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O2S/c28-19-14-12-18(13-15-19)27(32)29-20-6-5-7-21(16-20)33-17-26(31)30-24-10-3-1-8-22(24)23-9-2-4-11-25(23)30/h1,3,5-8,10,12-16H,2,4,9,11,17H2,(H,29,32).

What are the key properties of 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide?

4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide has a molecular weight of 458.56 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19299956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).