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

C17H24N4O2S — CID 43812622

IUPACN-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)NC2CCCC2)n1Cc1ccco1
InChIInChI=1S/C17H24N4O2S/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/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H,18,22)
InChIKeyGVPZJQNPZXOFKB-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.02
Rot. Bonds8

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

N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 43812622) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID43812622
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)NC2CCCC2)n1Cc1ccco1
InChIInChI=1S/C17H24N4O2S/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/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H,18,22)
InChIKeyGVPZJQNPZXOFKB-UHFFFAOYSA-N
XLogP3.02
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-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

Related Compounds

N-cyclohexyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1176929
N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46688562
N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1455087
N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43812670
2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide
CID 4012925
N-cycloheptyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42140432
N-cyclopropyl-2-[[4-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51686747
N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135903931
3-[5-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]sulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide
CID 43046113
N-cyclopropyl-2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 17448875
N-cyclopropyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 47138151
2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7391079

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 43812622) is N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[4-(furan-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-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is GVPZJQNPZXOFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/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/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H,18,22).
What are the key properties of N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 3.02, 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-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 43812622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).