N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H22N4O3S — CID 18111191

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C20H22N4O3S/c1-3-14-7-4-5-8-15(14)21-17(25)13-24(2)19(26)11-10-18-22-20(23-27-18)16-9-6-12-28-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,25)
InChIKeyUXSSDUDECHGBIJ-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18111191) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18111191
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C20H22N4O3S/c1-3-14-7-4-5-8-15(14)21-17(25)13-24(2)19(26)11-10-18-22-20(23-27-18)16-9-6-12-28-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,25)
InChIKeyUXSSDUDECHGBIJ-UHFFFAOYSA-N
XLogP3.39
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
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N-[2-(ethylaminomethyl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119440771
N-methyl-N-(2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134058828
2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800647
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55686757
N-methoxy-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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CID 18111822
N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24503205
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18111191) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCc1ccccc1NC(=O)CN(C)C(=O)CCc1nc(-c2cccs2)no1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is UXSSDUDECHGBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-14-7-4-5-8-15(14)21-17(25)13-24(2)19(26)11-10-18-22-20(23-27-18)16-9-6-12-28-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 398.49 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18111191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).