2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide

C21H21ClN4O4S — CID 3238542

IUPAC2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NCCc2ccccc2)o1
InChIInChI=1S/C21H21ClN4O4S/c22-16-6-8-17(9-7-16)29-13-18(27)24-12-20-25-26-21(30-20)31-14-19(28)23-11-10-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,23,28)(H,24,27)
InChIKeyZQOOKRKRQXUOEY-UHFFFAOYSA-N
MW460.94 g/mol
LogP2.87
Rot. Bonds11

About 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 3238542) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID3238542
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC Name2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NCCc2ccccc2)o1
InChIInChI=1S/C21H21ClN4O4S/c22-16-6-8-17(9-7-16)29-13-18(27)24-12-20-25-26-21(30-20)31-14-19(28)23-11-10-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,23,28)(H,24,27)
InChIKeyZQOOKRKRQXUOEY-UHFFFAOYSA-N
XLogP2.87
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(4-chlorophenoxy)-N-[[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 4585994
N-[2-(4-chlorophenyl)ethyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7800729
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 7661062
2-(4-chlorophenoxy)-N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 3236262
N-butyl-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78763983
2-(4-chlorophenoxy)-N'-[2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]acetohydrazide
CID 3154031
N-[2-(3-chlorophenyl)ethyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8510228
N-benzyl-2-[[5-[(4-tert-butylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1134801
2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 29316962
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7443891
N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 40833614
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 7420135

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 3238542) is 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NCCc2ccccc2)o1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is ZQOOKRKRQXUOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c22-16-6-8-17(9-7-16)29-13-18(27)24-12-20-25-26-21(30-20)31-14-19(28)23-11-10-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,23,28)(H,24,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 460.94 g/mol, XLogP of 2.87, 11 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-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 3238542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).