N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide

C14H23N5O4S — CID 9375907

About N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide (PubChem CID 9375907) has the molecular formula C14H23N5O4S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide
• PubChem CID: 9375907
• Molecular Formula: C14H23N5O4S
• Molecular Weight: 357.44 g/mol
• Exact Mass: 357.15
• IUPAC Name: N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide
• SMILES: COCCCn1c(SCC(=O)N(C)CC(=O)NC2CC2)n[nH]c1=O
• InChI: InChI=1S/C14H23N5O4S/c1-18(8-11(20)15-10-4-5-10)12(21)9-24-14-17-16-13(22)19(14)6-3-7-23-2/h10H,3-9H2,1-2H3,(H,15,20)(H,16,22)
• InChIKey: YZJSKMMCYUYFOC-UHFFFAOYSA-N
• XLogP: -0.56
• TPSA: 109.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.44
LogP ≤ 5	-0.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide (CID 9375907) is N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide.

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

The canonical SMILES for N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide is COCCCn1c(SCC(=O)N(C)CC(=O)NC2CC2)n[nH]c1=O.

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

The InChIKey is YZJSKMMCYUYFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4S/c1-18(8-11(20)15-10-4-5-10)12(21)9-24-14-17-16-13(22)19(14)6-3-7-23-2/h10H,3-9H2,1-2H3,(H,15,20)(H,16,22).

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

N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide has a molecular weight of 357.44 g/mol, XLogP of -0.56, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]acetamide is sourced from PubChem (CID 9375907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).