(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide

C20H26N4OS — CID 9026050

About (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide

(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 9026050) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
• PubChem CID: 9026050
• Molecular Formula: C20H26N4OS
• Molecular Weight: 370.52 g/mol
• Exact Mass: 370.18
• IUPAC Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
• SMILES: CC(C)c1ccc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1
• InChI: InChI=1S/C20H26N4OS/c1-12(2)14-6-8-16(9-7-14)21-19(25)13(3)26-20-23-22-18(15-4-5-15)24(20)17-10-11-17/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3,(H,21,25)/t13-/m0/s1
• InChIKey: DZYPLKBRKZKOSU-ZDUSSCGKSA-N
• XLogP: 4.73
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.52
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

The IUPAC name of (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (CID 9026050) is (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.

What is the SMILES notation for (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

The canonical SMILES for (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1.

What is the InChIKey of (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

The InChIKey is DZYPLKBRKZKOSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-12(2)14-6-8-16(9-7-14)21-19(25)13(3)26-20-23-22-18(15-4-5-15)24(20)17-10-11-17/h6-9,12-13,15,17H,4-5,10-11H2,1-3H3,(H,21,25)/t13-/m0/s1.

What are the key properties of (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?

(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 370.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 9026050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).