N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C17H28N4O2S — CID 43812621

IUPACN-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)NC2CCCC2)n1CC1CCCO1
InChIInChI=1S/C17H28N4O2S/c1-2-6-15-19-20-17(21(15)11-14-9-5-10-23-14)24-12-16(22)18-13-7-3-4-8-13/h13-14H,2-12H2,1H3,(H,18,22)
InChIKeyLVMYFZUGVNXTFI-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.56
Rot. Bonds8

About N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 43812621) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID43812621
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)NC2CCCC2)n1CC1CCCO1
InChIInChI=1S/C17H28N4O2S/c1-2-6-15-19-20-17(21(15)11-14-9-5-10-23-14)24-12-16(22)18-13-7-3-4-8-13/h13-14H,2-12H2,1H3,(H,18,22)
InChIKeyLVMYFZUGVNXTFI-UHFFFAOYSA-N
XLogP2.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 43812621) is N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCCc1nnc(SCC(=O)NC2CCCC2)n1CC1CCCO1.
What is the InChIKey of N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is LVMYFZUGVNXTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-2-6-15-19-20-17(21(15)11-14-9-5-10-23-14)24-12-16(22)18-13-7-3-4-8-13/h13-14H,2-12H2,1H3,(H,18,22).
What are the key properties of N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 352.50 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 43812621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).