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

C19H20N4O3S — CID 53042263

IUPACN-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide
SMILESCCc1nc(-c2cc(NC(=O)CNC(=O)c3ccc(C)cc3)c(C)s2)no1
InChIInChI=1S/C19H20N4O3S/c1-4-17-22-18(23-26-17)15-9-14(12(3)27-15)21-16(24)10-20-19(25)13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyZBQDNYCBALLZCZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.35
Rot. Bonds6

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

N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 53042263) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID53042263
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide
SMILESCCc1nc(-c2cc(NC(=O)CNC(=O)c3ccc(C)cc3)c(C)s2)no1
InChIInChI=1S/C19H20N4O3S/c1-4-17-22-18(23-26-17)15-9-14(12(3)27-15)21-16(24)10-20-19(25)13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyZBQDNYCBALLZCZ-UHFFFAOYSA-N
XLogP3.35
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide (CID 53042263) is N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide is CCc1nc(-c2cc(NC(=O)CNC(=O)c3ccc(C)cc3)c(C)s2)no1.
What is the InChIKey of N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is ZBQDNYCBALLZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-4-17-22-18(23-26-17)15-9-14(12(3)27-15)21-16(24)10-20-19(25)13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 53042263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).