(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide

C25H27N5OS — CID 27629691

About (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide

(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 27629691) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide
• PubChem CID: 27629691
• Molecular Formula: C25H27N5OS
• Molecular Weight: 445.59 g/mol
• Exact Mass: 445.19
• IUPAC Name: (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nnc(C4CC4)n3C3CC3)ccc21
• InChI: InChI=1S/C25H27N5OS/c1-3-29-21-7-5-4-6-19(21)20-14-17(10-13-22(20)29)26-24(31)15(2)32-25-28-27-23(16-8-9-16)30(25)18-11-12-18/h4-7,10,13-16,18H,3,8-9,11-12H2,1-2H3,(H,26,31)/t15-/m1/s1
• InChIKey: GOVFBOBMRDNMCW-OAHLLOKOSA-N
• XLogP: 5.74
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.59
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide?

The IUPAC name of (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide (CID 27629691) is (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide.

What is the SMILES notation for (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide?

The canonical SMILES for (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nnc(C4CC4)n3C3CC3)ccc21.

What is the InChIKey of (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide?

The InChIKey is GOVFBOBMRDNMCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-3-29-21-7-5-4-6-19(21)20-14-17(10-13-22(20)29)26-24(31)15(2)32-25-28-27-23(16-8-9-16)30(25)18-11-12-18/h4-7,10,13-16,18H,3,8-9,11-12H2,1-2H3,(H,26,31)/t15-/m1/s1.

What are the key properties of (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide?

(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 445.59 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 27629691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).