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

C19H17Cl2N3O2S — CID 92658638

IUPACN-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1C
InChIInChI=1S/C19H17Cl2N3O2S/c1-11-6-7-13(8-12(11)2)9-17-23-24-19(26-17)27-10-16(25)22-15-5-3-4-14(20)18(15)21/h3-8H,9-10H2,1-2H3,(H,22,25)
InChIKeyQCBBOQBZLCCBRJ-UHFFFAOYSA-N
MW422.34 g/mol
LogP5.31
Rot. Bonds6

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

N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 92658638) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID92658638
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC NameN-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1C
InChIInChI=1S/C19H17Cl2N3O2S/c1-11-6-7-13(8-12(11)2)9-17-23-24-19(26-17)27-10-16(25)22-15-5-3-4-14(20)18(15)21/h3-8H,9-10H2,1-2H3,(H,22,25)
InChIKeyQCBBOQBZLCCBRJ-UHFFFAOYSA-N
XLogP5.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.34
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2,3-dichlorophenyl)-2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92658744
N-(2,3-dichlorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7805664
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 1162761
N-(2,3-dichlorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 28564153
methyl 2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 92658683
N-(2,3-dichlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7817054
N-(2,3-dichlorophenyl)-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1334595
N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9457916
N-(2-bromo-4,5-dimethylphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5096860
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 2032833
N-(4-methylphenyl)-2-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 19060549
N-(3-chloro-2-methylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7612533

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 92658638) is N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1C.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is QCBBOQBZLCCBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-11-6-7-13(8-12(11)2)9-17-23-24-19(26-17)27-10-16(25)22-15-5-3-4-14(20)18(15)21/h3-8H,9-10H2,1-2H3,(H,22,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 422.34 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 92658638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).