2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide

C19H23ClN4O4S — CID 3236462

IUPAC2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NC2CCCCC2)o1
InChIInChI=1S/C19H23ClN4O4S/c20-13-6-8-15(9-7-13)27-11-16(25)21-10-18-23-24-19(28-18)29-12-17(26)22-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,21,25)(H,22,26)
InChIKeyZHTRBXRPLJCJFK-UHFFFAOYSA-N
MW438.94 g/mol
LogP2.96
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 3236462) has the molecular formula C19H23ClN4O4S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID3236462
Molecular FormulaC19H23ClN4O4S
Molecular Weight438.94 g/mol
Exact Mass438.11
IUPAC Name2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NC2CCCCC2)o1
InChIInChI=1S/C19H23ClN4O4S/c20-13-6-8-15(9-7-13)27-11-16(25)21-10-18-23-24-19(28-18)29-12-17(26)22-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,21,25)(H,22,26)
InChIKeyZHTRBXRPLJCJFK-UHFFFAOYSA-N
XLogP2.96
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-{[5-({2-[(2-ethoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide
CID 3240185
2-(4-chlorophenoxy)-N-[(5-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 3244733
N-Cyclohexyl-2-[5-(4-methoxy-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 1151511
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 2482375
N-Bicyclo[2.2.1]hept-2-yl-2-[5-(4-chloro-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 3160174
2-({5-[(4-Chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 3160432
2-(4-chlorophenoxy)-N-{[5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide
CID 3238542
2-(4-chlorophenoxy)-N-[(5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 3241465
2-(4-chlorophenoxy)-N-{[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide
CID 3242235
2-(4-chlorophenoxy)-N-[(5-{[2-(cyclopentylamino)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 3245426
2-(4-Chlorophenoxy)-N-[(5-{[2-oxo-2-(pyrrolidin-1-YL)ethyl]sulfanyl}-1,3,4-oxadiazol-2-YL)methyl]acetamide
CID 3304199
2-(4-chlorophenoxy)-N-[[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 3573405

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 3236462) is 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NC2CCCCC2)o1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is ZHTRBXRPLJCJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4S/c20-13-6-8-15(9-7-13)27-11-16(25)21-10-18-23-24-19(28-18)29-12-17(26)22-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,21,25)(H,22,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 438.94 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 3236462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).