N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C14H17N3O2S — CID 2966685

IUPACN-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nnc(C)o1
InChIInChI=1S/C14H17N3O2S/c1-4-11-7-5-6-9(2)13(11)15-12(18)8-20-14-17-16-10(3)19-14/h5-7H,4,8H2,1-3H3,(H,15,18)
InChIKeyAJGNTETTWVPKRD-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.98
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2966685) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2966685
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nnc(C)o1
InChIInChI=1S/C14H17N3O2S/c1-4-11-7-5-6-9(2)13(11)15-12(18)8-20-14-17-16-10(3)19-14/h5-7H,4,8H2,1-3H3,(H,15,18)
InChIKeyAJGNTETTWVPKRD-UHFFFAOYSA-N
XLogP2.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2966685) is N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCc1cccc(C)c1NC(=O)CSc1nnc(C)o1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is AJGNTETTWVPKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-11-7-5-6-9(2)13(11)15-12(18)8-20-14-17-16-10(3)19-14/h5-7H,4,8H2,1-3H3,(H,15,18).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2966685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).