3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide

C19H20N4O3S — CID 53042253

IUPAC3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
SMILESCCc1nc(-c2cc(NC(=O)c3ccc(C)c(NC(C)=O)c3)c(C)s2)no1
InChIInChI=1S/C19H20N4O3S/c1-5-17-22-18(23-26-17)16-9-15(11(3)27-16)21-19(25)13-7-6-10(2)14(8-13)20-12(4)24/h6-9H,5H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyZQBWQVIVYYSNSP-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.19
Rot. Bonds5

About 3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide

3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide (PubChem CID 53042253) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
PubChem CID53042253
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
SMILESCCc1nc(-c2cc(NC(=O)c3ccc(C)c(NC(C)=O)c3)c(C)s2)no1
InChIInChI=1S/C19H20N4O3S/c1-5-17-22-18(23-26-17)16-9-15(11(3)27-16)21-19(25)13-7-6-10(2)14(8-13)20-12(4)24/h6-9H,5H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyZQBWQVIVYYSNSP-UHFFFAOYSA-N
XLogP4.19
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide (CID 53042253) is 3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide is CCc1nc(-c2cc(NC(=O)c3ccc(C)c(NC(C)=O)c3)c(C)s2)no1.
What is the InChIKey of 3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The InChIKey is ZQBWQVIVYYSNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-5-17-22-18(23-26-17)16-9-15(11(3)27-16)21-19(25)13-7-6-10(2)14(8-13)20-12(4)24/h6-9H,5H2,1-4H3,(H,20,24)(H,21,25).
What are the key properties of 3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide is sourced from PubChem (CID 53042253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).