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

C11H9ClFN3O2S — CID 4027628

IUPACN-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C11H9ClFN3O2S/c1-6-15-16-11(18-6)19-5-10(17)14-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H,14,17)
InChIKeySWXFJGNXXQPGKQ-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.90
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4027628) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID4027628
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C11H9ClFN3O2S/c1-6-15-16-11(18-6)19-5-10(17)14-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H,14,17)
InChIKeySWXFJGNXXQPGKQ-UHFFFAOYSA-N
XLogP2.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3895754
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 102630188
N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411119
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4528173
N-(3,4-dichlorophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4661129
N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
2-[(5-benzhydryl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 19060707
N-(4-chlorophenyl)-2-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 21215184
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3619493
N-(5-acetamido-2-fluorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55551642
N-(3-chloro-4-cyanophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7907058

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 4027628) is N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)o1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SWXFJGNXXQPGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c1-6-15-16-11(18-6)19-5-10(17)14-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 301.73 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4027628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).