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

C13H13Cl2N3O2S — CID 6463352

IUPACN-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C13H13Cl2N3O2S/c1-2-4-11-17-18-13(20-11)21-7-10(19)16-9-6-3-5-8(14)12(9)15/h3,5-6H,2,4,7H2,1H3,(H,16,19)
InChIKeyIVJFQQMOLZNXDG-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.06
Rot. Bonds6

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

N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 6463352) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID6463352
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC NameN-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C13H13Cl2N3O2S/c1-2-4-11-17-18-13(20-11)21-7-10(19)16-9-6-3-5-8(14)12(9)15/h3,5-6H,2,4,7H2,1H3,(H,16,19)
InChIKeyIVJFQQMOLZNXDG-UHFFFAOYSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 6463352) is N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is IVJFQQMOLZNXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-2-4-11-17-18-13(20-11)21-7-10(19)16-9-6-3-5-8(14)12(9)15/h3,5-6H,2,4,7H2,1H3,(H,16,19).
What are the key properties of N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2,3-dichlorophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 346.24 g/mol, XLogP of 4.06, 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-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 6463352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).