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

C15H11ClFN3O2S2 — CID 46858817

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)NCc1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClFN3O2S2/c16-11-6-10(17)4-3-9(11)7-18-13(21)8-24-15-20-19-14(22-15)12-2-1-5-23-12/h1-6H,7-8H2,(H,18,21)
InChIKeyBRQDQRHRRSFLIU-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.00
Rot. Bonds6

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 46858817) has the molecular formula C15H11ClFN3O2S2 and a molecular weight of 383.86 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID46858817
Molecular FormulaC15H11ClFN3O2S2
Molecular Weight383.86 g/mol
Exact Mass383.00
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)NCc1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClFN3O2S2/c16-11-6-10(17)4-3-9(11)7-18-13(21)8-24-15-20-19-14(22-15)12-2-1-5-23-12/h1-6H,7-8H2,(H,18,21)
InChIKeyBRQDQRHRRSFLIU-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-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-[(2-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8640266
N-methyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582336
N-propan-2-yl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582333
N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119
4-chloro-N'-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2082579
N-(2-methylpropylcarbamoyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2592943
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8951232
N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2342347
N-[(2,4-dichlorophenyl)methyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7879116
N-(2-chloro-4-nitrophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981707
N-(2-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981797
N-naphthalen-2-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981801

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 46858817) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccs2)o1)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is BRQDQRHRRSFLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S2/c16-11-6-10(17)4-3-9(11)7-18-13(21)8-24-15-20-19-14(22-15)12-2-1-5-23-12/h1-6H,7-8H2,(H,18,21).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 383.86 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 46858817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).