N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide

C15H24N4O3S2 — CID 18134359

IUPACN-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCC(C)N(C(=O)CSc1n[nH]c(C2CC2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H24N4O3S2/c1-3-10(2)19(12-6-7-24(21,22)9-12)13(20)8-23-15-16-14(17-18-15)11-4-5-11/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyDATRFKGGGFENKI-UHFFFAOYSA-N
MW372.52 g/mol
LogP1.59
Rot. Bonds7

About N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide

N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 18134359) has the molecular formula C15H24N4O3S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID18134359
Molecular FormulaC15H24N4O3S2
Molecular Weight372.52 g/mol
Exact Mass372.13
IUPAC NameN-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCC(C)N(C(=O)CSc1n[nH]c(C2CC2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H24N4O3S2/c1-3-10(2)19(12-6-7-24(21,22)9-12)13(20)8-23-15-16-14(17-18-15)11-4-5-11/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyDATRFKGGGFENKI-UHFFFAOYSA-N
XLogP1.59
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-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 N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 18134359) is N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide is CCC(C)N(C(=O)CSc1n[nH]c(C2CC2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is DATRFKGGGFENKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S2/c1-3-10(2)19(12-6-7-24(21,22)9-12)13(20)8-23-15-16-14(17-18-15)11-4-5-11/h10-12H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide?
N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 372.52 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 18134359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).