(3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide

C24H25FN4OS — CID 92897056

About (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide

(3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 92897056) has the molecular formula C24H25FN4OS and a molecular weight of 436.56 g/mol. Its IUPAC name is (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
• PubChem CID: 92897056
• Molecular Formula: C24H25FN4OS
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.17
• IUPAC Name: (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
• SMILES: Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3cccc(F)c3C)C2)cc1
• InChI: InChI=1S/C24H25FN4OS/c1-16-8-10-19(11-9-16)31-24-22(26-12-13-27-24)29-14-4-5-18(15-29)23(30)28-21-7-3-6-20(25)17(21)2/h3,6-13,18H,4-5,14-15H2,1-2H3,(H,28,30)/t18-/m0/s1
• InChIKey: PCARCXYNDYSBDI-SFHVURJKSA-N
• XLogP: 5.24
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide (CID 92897056) is (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide is Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3cccc(F)c3C)C2)cc1.

What is the InChIKey of (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide?

The InChIKey is PCARCXYNDYSBDI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25FN4OS/c1-16-8-10-19(11-9-16)31-24-22(26-12-13-27-24)29-14-4-5-18(15-29)23(30)28-21-7-3-6-20(25)17(21)2/h3,6-13,18H,4-5,14-15H2,1-2H3,(H,28,30)/t18-/m0/s1.

What are the key properties of (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide?

(3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(3-fluoro-2-methylphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92897056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).