N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide

C17H16FN3O2S2 — CID 55735551

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NC(c2ccc(F)cc2)c2cccs2)no1
InChIInChI=1S/C17H16FN3O2S2/c1-11-19-15(21-23-11)9-24-10-16(22)20-17(14-3-2-8-25-14)12-4-6-13(18)7-5-12/h2-8,17H,9-10H2,1H3,(H,20,22)
InChIKeyWTJSBXKWNSNHED-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.72
Rot. Bonds7

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide (PubChem CID 55735551) has the molecular formula C17H16FN3O2S2 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
PubChem CID55735551
Molecular FormulaC17H16FN3O2S2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NC(c2ccc(F)cc2)c2cccs2)no1
InChIInChI=1S/C17H16FN3O2S2/c1-11-19-15(21-23-11)9-24-10-16(22)20-17(14-3-2-8-25-14)12-4-6-13(18)7-5-12/h2-8,17H,9-10H2,1H3,(H,20,22)
InChIKeyWTJSBXKWNSNHED-UHFFFAOYSA-N
XLogP3.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide (CID 55735551) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide is Cc1nc(CSCC(=O)NC(c2ccc(F)cc2)c2cccs2)no1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The InChIKey is WTJSBXKWNSNHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S2/c1-11-19-15(21-23-11)9-24-10-16(22)20-17(14-3-2-8-25-14)12-4-6-13(18)7-5-12/h2-8,17H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 55735551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).