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

C17H16ClN3O3S2 — CID 8582278

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C17H16ClN3O3S2/c1-21(8-9-23-13-6-4-12(18)5-7-13)15(22)11-26-17-20-19-16(24-17)14-3-2-10-25-14/h2-7,10H,8-9,11H2,1H3
InChIKeyHRJOPMLEFDGYBW-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.08
Rot. Bonds8

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

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 8582278) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID8582278
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C17H16ClN3O3S2/c1-21(8-9-23-13-6-4-12(18)5-7-13)15(22)11-26-17-20-19-16(24-17)14-3-2-10-25-14/h2-7,10H,8-9,11H2,1H3
InChIKeyHRJOPMLEFDGYBW-UHFFFAOYSA-N
XLogP4.08
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720
N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582305
N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 35795719
4-chloro-N'-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2082579
3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide
CID 27351178
N-[2-(4-chloro-2-methylphenoxy)ethyl]-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 131922821
1-(4-propan-2-ylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 38924044
N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 41373046
N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 27942601
N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 60517598
N-methyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582336
N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 8582278) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is HRJOPMLEFDGYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c1-21(8-9-23-13-6-4-12(18)5-7-13)15(22)11-26-17-20-19-16(24-17)14-3-2-10-25-14/h2-7,10H,8-9,11H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 409.92 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 8582278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).