2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C14H17ClN4O3S — CID 653495

IUPAC2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOCCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O
InChIInChI=1S/C14H17ClN4O3S/c1-21-7-6-19-13(17-18-14(19)23-9-12(16)20)8-22-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H2,16,20)
InChIKeyHUEYNZYTFMENCJ-UHFFFAOYSA-N
MW356.84 g/mol
LogP1.73
Rot. Bonds9

About 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 653495) has the molecular formula C14H17ClN4O3S and a molecular weight of 356.84 g/mol. Its IUPAC name is 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID653495
Molecular FormulaC14H17ClN4O3S
Molecular Weight356.84 g/mol
Exact Mass356.07
IUPAC Name2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOCCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O
InChIInChI=1S/C14H17ClN4O3S/c1-21-7-6-19-13(17-18-14(19)23-9-12(16)20)8-22-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H2,16,20)
InChIKeyHUEYNZYTFMENCJ-UHFFFAOYSA-N
XLogP1.73
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6465814
4-[2-(4-Methyl-5-phenoxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethyl]-morpholine
CID 649947
4-[[5-[(4-Chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 665098
2-(4-Cyclohexyl-5-phenoxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 644917
(4-Allyl-5-phenoxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
CID 654351
Ethyl 2-(2-{5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-ylthio}acetyla mino)acetate
CID 664891
N,N-Diethyl-2-(4-ethyl-5-phenoxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 861754
6-Amino-5-[2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2490828
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide
CID 2660046
(4-Chloro-phenoxy)-acetic acid N'-{2-[4-(3-methoxy-propyl)-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazide
CID 3178044
N-cyclopropyl-2-{[4-methyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6468675
N-cyclopropyl-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6469345

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 653495) is 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is COCCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O.
What is the InChIKey of 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is HUEYNZYTFMENCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S/c1-21-7-6-19-13(17-18-14(19)23-9-12(16)20)8-22-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H2,16,20).
What are the key properties of 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 356.84 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-chlorophenoxy)methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 653495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).