(11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C23H24FN3O2S — CID 92737308

About (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92737308) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 92737308
• Molecular Formula: C23H24FN3O2S
• Molecular Weight: 425.53 g/mol
• Exact Mass: 425.16
• IUPAC Name: (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1ccccc1F
• InChI: InChI=1S/C23H24FN3O2S/c1-23(22(29)25-16-7-3-4-8-16)14-26-18-10-11-30-20(18)12-19(26)21(28)27(23)13-15-6-2-5-9-17(15)24/h2,5-6,9-12,16H,3-4,7-8,13-14H2,1H3,(H,25,29)/t23-/m1/s1
• InChIKey: MVTRQEZVYGKXEE-HSZRJFAPSA-N
• XLogP: 4.32
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.53
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92737308) is (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1ccccc1F.

What is the InChIKey of (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is MVTRQEZVYGKXEE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-23(22(29)25-16-7-3-4-8-16)14-26-18-10-11-30-20(18)12-19(26)21(28)27(23)13-15-6-2-5-9-17(15)24/h2,5-6,9-12,16H,3-4,7-8,13-14H2,1H3,(H,25,29)/t23-/m1/s1.

What are the key properties of (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

(11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92737308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).