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

C17H16ClN3O2S2 — CID 134001528

IUPACN-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
SMILESCC(NC(=O)CSCc1nc(-c2cccs2)no1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O2S2/c1-11(12-5-2-3-6-13(12)18)19-15(22)9-24-10-16-20-17(21-23-16)14-7-4-8-25-14/h2-8,11H,9-10H2,1H3,(H,19,22)
InChIKeyMOHRMFQDVJZHHZ-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.56
Rot. Bonds7

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

N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide (PubChem CID 134001528) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
PubChem CID134001528
Molecular FormulaC17H16ClN3O2S2
Molecular Weight393.92 g/mol
Exact Mass393.04
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
SMILESCC(NC(=O)CSCc1nc(-c2cccs2)no1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O2S2/c1-11(12-5-2-3-6-13(12)18)19-15(22)9-24-10-16-20-17(21-23-16)14-7-4-8-25-14/h2-8,11H,9-10H2,1H3,(H,19,22)
InChIKeyMOHRMFQDVJZHHZ-UHFFFAOYSA-N
XLogP4.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-phenylethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 51724996
N-[(2-chlorophenyl)methyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 42948809
N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 42951167
N-[1-(3,4-dichlorophenyl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55415410
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636574
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43238093
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38638875
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
N-(1-naphthalen-2-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51231484
N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 134001431
N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089543
3-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563664

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide (CID 134001528) is N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide is CC(NC(=O)CSCc1nc(-c2cccs2)no1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
The InChIKey is MOHRMFQDVJZHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-11(12-5-2-3-6-13(12)18)19-15(22)9-24-10-16-20-17(21-23-16)14-7-4-8-25-14/h2-8,11H,9-10H2,1H3,(H,19,22).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide?
N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide has a molecular weight of 393.92 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 134001528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).