2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide

C18H18ClN3O2S2 — CID 87033792

IUPAC2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(SCc1noc(-c2ccccc2Cl)n1)C(=O)NCCc1cccs1
InChIInChI=1S/C18H18ClN3O2S2/c1-12(17(23)20-9-8-13-5-4-10-25-13)26-11-16-21-18(24-22-16)14-6-2-3-7-15(14)19/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)
InChIKeyKKYMKGNYPCKEHC-UHFFFAOYSA-N
MW407.95 g/mol
LogP4.43
Rot. Bonds8

About 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide

2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 87033792) has the molecular formula C18H18ClN3O2S2 and a molecular weight of 407.95 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID87033792
Molecular FormulaC18H18ClN3O2S2
Molecular Weight407.95 g/mol
Exact Mass407.05
IUPAC Name2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(SCc1noc(-c2ccccc2Cl)n1)C(=O)NCCc1cccs1
InChIInChI=1S/C18H18ClN3O2S2/c1-12(17(23)20-9-8-13-5-4-10-25-13)26-11-16-21-18(24-22-16)14-6-2-3-7-15(14)19/h2-7,10,12H,8-9,11H2,1H3,(H,20,23)
InChIKeyKKYMKGNYPCKEHC-UHFFFAOYSA-N
XLogP4.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide with MolForge

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Related Compounds

2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid
CID 43245176
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8552521
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78807173
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 8621528
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367
N-[(2-chlorophenyl)methyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 42948809
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43248934
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 75855709
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24661609
3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 46920502
5-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 43052763

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide (CID 87033792) is 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide is CC(SCc1noc(-c2ccccc2Cl)n1)C(=O)NCCc1cccs1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is KKYMKGNYPCKEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S2/c1-12(17(23)20-9-8-13-5-4-10-25-13)26-11-16-21-18(24-22-16)14-6-2-3-7-15(14)19/h2-7,10,12H,8-9,11H2,1H3,(H,20,23).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide?
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 407.95 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 87033792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).