N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide

C19H19N3O2S — CID 15987643

IUPACN-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nc(-c2ccccc2)no1)c1cccc(C)c1
InChIInChI=1S/C19H19N3O2S/c1-3-22(16-11-7-8-14(2)12-16)17(23)13-25-19-20-18(21-24-19)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyGNMRUHAUMLUSIG-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.19
Rot. Bonds6

About N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide

N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide (PubChem CID 15987643) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide
PubChem CID15987643
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nc(-c2ccccc2)no1)c1cccc(C)c1
InChIInChI=1S/C19H19N3O2S/c1-3-22(16-11-7-8-14(2)12-16)17(23)13-25-19-20-18(21-24-19)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyGNMRUHAUMLUSIG-UHFFFAOYSA-N
XLogP4.19
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide (CID 15987643) is N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide is CCN(C(=O)CSc1nc(-c2ccccc2)no1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is GNMRUHAUMLUSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-22(16-11-7-8-14(2)12-16)17(23)13-25-19-20-18(21-24-19)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide?
N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 15987643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).