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

C18H16FN3O2S — CID 71800459

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESCc1noc(Cc2ccccc2NC(=O)CSc2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O2S/c1-12-20-18(24-22-12)10-13-4-2-3-5-16(13)21-17(23)11-25-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyYNVOVLDPRVWCPK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.84
Rot. Bonds6

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

2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (PubChem CID 71800459) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
PubChem CID71800459
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
SMILESCc1noc(Cc2ccccc2NC(=O)CSc2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O2S/c1-12-20-18(24-22-12)10-13-4-2-3-5-16(13)21-17(23)11-25-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyYNVOVLDPRVWCPK-UHFFFAOYSA-N
XLogP3.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (CID 71800459) is 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is Cc1noc(Cc2ccccc2NC(=O)CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
The InChIKey is YNVOVLDPRVWCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-12-20-18(24-22-12)10-13-4-2-3-5-16(13)21-17(23)11-25-15-8-6-14(19)7-9-15/h2-9H,10-11H2,1H3,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 71800459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).