(2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C17H23N5O2S2 — CID 9383151

About (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 9383151) has the molecular formula C17H23N5O2S2 and a molecular weight of 393.54 g/mol. Its IUPAC name is (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
• PubChem CID: 9383151
• Molecular Formula: C17H23N5O2S2
• Molecular Weight: 393.54 g/mol
• Exact Mass: 393.13
• IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
• SMILES: C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC(=O)NC(C)(C)C
• InChI: InChI=1S/C17H23N5O2S2/c1-10(14(23)18-15(24)19-17(2,3)4)26-16-21-20-13(12-6-5-9-25-12)22(16)11-7-8-11/h5-6,9-11H,7-8H2,1-4H3,(H2,18,19,23,24)/t10-/m1/s1
• InChIKey: RJPWYEKTLMGHMB-SNVBAGLBSA-N
• XLogP: 3.45
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.54
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The IUPAC name of (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 9383151) is (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

What is the SMILES notation for (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The canonical SMILES for (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC(=O)NC(C)(C)C.

What is the InChIKey of (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The InChIKey is RJPWYEKTLMGHMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H23N5O2S2/c1-10(14(23)18-15(24)19-17(2,3)4)26-16-21-20-13(12-6-5-9-25-12)22(16)11-7-8-11/h5-6,9-11H,7-8H2,1-4H3,(H2,18,19,23,24)/t10-/m1/s1.

What are the key properties of (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

(2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 393.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(tert-butylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 9383151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).