N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide

C17H14ClFN4O2S — CID 53160850

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCc1nc(-c2cccnc2SCC(=O)NCc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C17H14ClFN4O2S/c1-10-22-16(23-25-10)12-3-2-6-20-17(12)26-9-15(24)21-8-11-4-5-14(19)13(18)7-11/h2-7H,8-9H2,1H3,(H,21,24)
InChIKeyIGXJALFJIDNCAI-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.64
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 53160850) has the molecular formula C17H14ClFN4O2S and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID53160850
Molecular FormulaC17H14ClFN4O2S
Molecular Weight392.84 g/mol
Exact Mass392.05
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCc1nc(-c2cccnc2SCC(=O)NCc2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C17H14ClFN4O2S/c1-10-22-16(23-25-10)12-3-2-6-20-17(12)26-9-15(24)21-8-11-4-5-14(19)13(18)7-11/h2-7H,8-9H2,1H3,(H,21,24)
InChIKeyIGXJALFJIDNCAI-UHFFFAOYSA-N
XLogP3.64
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide (CID 53160850) is N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide is Cc1nc(-c2cccnc2SCC(=O)NCc2ccc(F)c(Cl)c2)no1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is IGXJALFJIDNCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2S/c1-10-22-16(23-25-10)12-3-2-6-20-17(12)26-9-15(24)21-8-11-4-5-14(19)13(18)7-11/h2-7H,8-9H2,1H3,(H,21,24).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 392.84 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 53160850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).