N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

C20H22N4O3S — CID 43812670

IUPACN-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1ccccc1OCc1nnc(SCC(=O)NC2CC2)n1Cc1ccco1
InChIInChI=1S/C20H22N4O3S/c1-14-5-2-3-7-17(14)27-12-18-22-23-20(24(18)11-16-6-4-10-26-16)28-13-19(25)21-15-8-9-15/h2-7,10,15H,8-9,11-13H2,1H3,(H,21,25)
InChIKeyQVTNJSKSDCJPFW-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.18
Rot. Bonds9

About N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 43812670) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID43812670
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1ccccc1OCc1nnc(SCC(=O)NC2CC2)n1Cc1ccco1
InChIInChI=1S/C20H22N4O3S/c1-14-5-2-3-7-17(14)27-12-18-22-23-20(24(18)11-16-6-4-10-26-16)28-13-19(25)21-15-8-9-15/h2-7,10,15H,8-9,11-13H2,1H3,(H,21,25)
InChIKeyQVTNJSKSDCJPFW-UHFFFAOYSA-N
XLogP3.18
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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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-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43812622
N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1455087
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 650460
N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135903931
N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46688562
2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide
CID 4012925
N-cyclopropyl-2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 17448875
2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1072542
N,N-diethyl-2-[[4-(furan-2-ylmethyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1154832
2-[[5-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 17307692
2-[[4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 2047645

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 43812670) is N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1ccccc1OCc1nnc(SCC(=O)NC2CC2)n1Cc1ccco1.
What is the InChIKey of N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is QVTNJSKSDCJPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-5-2-3-7-17(14)27-12-18-22-23-20(24(18)11-16-6-4-10-26-16)28-13-19(25)21-15-8-9-15/h2-7,10,15H,8-9,11-13H2,1H3,(H,21,25).
What are the key properties of N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 43812670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).