(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide

C18H15Cl2N3O2S — CID 97267211

IUPAC(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H15Cl2N3O2S/c1-11(26-15-8-6-14(20)7-9-15)18(24)21-10-16-22-17(23-25-16)12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,21,24)/t11-/m1/s1
InChIKeyXMHRMSKBWYLULD-LLVKDONJSA-N
MW408.31 g/mol
LogP4.84
Rot. Bonds6

About (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide

(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 97267211) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID97267211
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H15Cl2N3O2S/c1-11(26-15-8-6-14(20)7-9-15)18(24)21-10-16-22-17(23-25-16)12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,21,24)/t11-/m1/s1
InChIKeyXMHRMSKBWYLULD-LLVKDONJSA-N
XLogP4.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide 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

2-(4-chlorophenyl)sulfanyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132658655
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97267518
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide
CID 132653294
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-phenylsulfanylpropanoate
CID 8569046
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 50759779
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethylurea
CID 6463409
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylphenoxy)propanamide
CID 8894845
2-(4-chlorophenyl)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 86958001
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide (CID 97267211) is (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide is C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is XMHRMSKBWYLULD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c1-11(26-15-8-6-14(20)7-9-15)18(24)21-10-16-22-17(23-25-16)12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,21,24)/t11-/m1/s1.
What are the key properties of (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide?
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 408.31 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 97267211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).