N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C17H13Cl2N3O3S — CID 2525684

IUPACN-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H13Cl2N3O3S/c1-24-14-5-3-2-4-11(14)16-21-22-17(25-16)26-9-15(23)20-13-7-6-10(18)8-12(13)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyBKXVJUWSFPDUDR-UHFFFAOYSA-N
MW410.28 g/mol
LogP4.78
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2525684) has the molecular formula C17H13Cl2N3O3S and a molecular weight of 410.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2525684
Molecular FormulaC17H13Cl2N3O3S
Molecular Weight410.28 g/mol
Exact Mass409.01
IUPAC NameN-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H13Cl2N3O3S/c1-24-14-5-3-2-4-11(14)16-21-22-17(25-16)26-9-15(23)20-13-7-6-10(18)8-12(13)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyBKXVJUWSFPDUDR-UHFFFAOYSA-N
XLogP4.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2525684) is N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BKXVJUWSFPDUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3S/c1-24-14-5-3-2-4-11(14)16-21-22-17(25-16)26-9-15(23)20-13-7-6-10(18)8-12(13)19/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 410.28 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2525684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).