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

C20H19ClN4O5S — CID 3242235

IUPAC2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClN4O5S/c1-28-16-5-3-2-4-15(16)23-18(27)12-31-20-25-24-19(30-20)10-22-17(26)11-29-14-8-6-13(21)7-9-14/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyAZPACNFKBLWRFX-UHFFFAOYSA-N
MW462.92 g/mol
LogP3.16
Rot. Bonds10

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

2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 3242235) has the molecular formula C20H19ClN4O5S and a molecular weight of 462.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID3242235
Molecular FormulaC20H19ClN4O5S
Molecular Weight462.92 g/mol
Exact Mass462.08
IUPAC Name2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClN4O5S/c1-28-16-5-3-2-4-15(16)23-18(27)12-31-20-25-24-19(30-20)10-22-17(26)11-29-14-8-6-13(21)7-9-14/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyAZPACNFKBLWRFX-UHFFFAOYSA-N
XLogP3.16
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-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-Cyclohexylcarbamoylmethyl-N-(4-fluoro-phenyl)-2-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 647334
N-Cyclopentylcarbamoylmethyl-N-(4-fluoro-phenyl)-2-(5-phenoxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 652838
N-(2-Methoxy-phenyl)-2-{5-[(4-methoxy-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 1170150
2-((5-((4-Chlorophenoxy)methyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2155838
2-(4-chlorophenoxy)-N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 3236462
2-(4-chlorophenoxy)-N-{[5-({2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide
CID 3237102
2-(4-chlorophenoxy)-N-{[5-({2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}acetamide
CID 3241392
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-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 3573405
N-{[5-({[(5-Chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}furan-2-carboxamide
CID 4576890

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 3242235) is 2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide is COc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is AZPACNFKBLWRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O5S/c1-28-16-5-3-2-4-15(16)23-18(27)12-31-20-25-24-19(30-20)10-22-17(26)11-29-14-8-6-13(21)7-9-14/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 462.92 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 3242235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).