2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide

C15H23N5O4S2 — CID 24613879

IUPAC2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)CSc1nncn1C1CC1
InChIInChI=1S/C15H23N5O4S2/c1-2-19(7-13(21)17-11-5-6-26(23,24)9-11)14(22)8-25-15-18-16-10-20(15)12-3-4-12/h10-12H,2-9H2,1H3,(H,17,21)
InChIKeyJXFDTEHSPCPMNS-UHFFFAOYSA-N
MW401.51 g/mol
LogP-0.14
Rot. Bonds8

About 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 24613879) has the molecular formula C15H23N5O4S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID24613879
Molecular FormulaC15H23N5O4S2
Molecular Weight401.51 g/mol
Exact Mass401.12
IUPAC Name2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)CSc1nncn1C1CC1
InChIInChI=1S/C15H23N5O4S2/c1-2-19(7-13(21)17-11-5-6-26(23,24)9-11)14(22)8-25-15-18-16-10-20(15)12-3-4-12/h10-12H,2-9H2,1H3,(H,17,21)
InChIKeyJXFDTEHSPCPMNS-UHFFFAOYSA-N
XLogP-0.14
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 24613879) is 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)CSc1nncn1C1CC1.
What is the InChIKey of 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is JXFDTEHSPCPMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S2/c1-2-19(7-13(21)17-11-5-6-26(23,24)9-11)14(22)8-25-15-18-16-10-20(15)12-3-4-12/h10-12H,2-9H2,1H3,(H,17,21).
What are the key properties of 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 401.51 g/mol, XLogP of -0.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 24613879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).