N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide

C19H17FN4O2S2 — CID 8879003

About N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide

N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide (PubChem CID 8879003) has the molecular formula C19H17FN4O2S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide
• PubChem CID: 8879003
• Molecular Formula: C19H17FN4O2S2
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.08
• IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide
• SMILES: CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(F)c1
• InChI: InChI=1S/C19H17FN4O2S2/c1-11(25)21-12-4-7-14(15(20)9-12)16(26)10-28-19-23-22-18(17-3-2-8-27-17)24(19)13-5-6-13/h2-4,7-9,13H,5-6,10H2,1H3,(H,21,25)
• InChIKey: FUCRADMMUTUHQE-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide?

The IUPAC name of N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide (CID 8879003) is N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide.

What is the SMILES notation for N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide?

The canonical SMILES for N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(F)c1.

What is the InChIKey of N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide?

The InChIKey is FUCRADMMUTUHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S2/c1-11(25)21-12-4-7-14(15(20)9-12)16(26)10-28-19-23-22-18(17-3-2-8-27-17)24(19)13-5-6-13/h2-4,7-9,13H,5-6,10H2,1H3,(H,21,25).

What are the key properties of N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide?

N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide has a molecular weight of 416.50 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide is sourced from PubChem (CID 8879003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).