N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H27N5O3S — CID 8625253

IUPACN-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n[nH]c1=O
InChIInChI=1S/C18H27N5O3S/c1-2-3-23-16(26)21-22-17(23)27-10-14(24)19-15(25)20-18-7-11-4-12(8-18)6-13(5-11)9-18/h11-13H,2-10H2,1H3,(H,21,26)(H2,19,20,24,25)
InChIKeyWOMYXQVWHZFHDR-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.87
Rot. Bonds6

About N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 8625253) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID8625253
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC NameN-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n[nH]c1=O
InChIInChI=1S/C18H27N5O3S/c1-2-3-23-16(26)21-22-17(23)27-10-14(24)19-15(25)20-18-7-11-4-12(8-18)6-13(5-11)9-18/h11-13H,2-10H2,1H3,(H,21,26)(H2,19,20,24,25)
InChIKeyWOMYXQVWHZFHDR-UHFFFAOYSA-N
XLogP1.87
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]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-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 8625253) is N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n[nH]c1=O.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is WOMYXQVWHZFHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-2-3-23-16(26)21-22-17(23)27-10-14(24)19-15(25)20-18-7-11-4-12(8-18)6-13(5-11)9-18/h11-13H,2-10H2,1H3,(H,21,26)(H2,19,20,24,25).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 8625253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).