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

C20H22N4O4S — CID 43022493

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C20H22N4O4S/c1-3-24(13-17(25)21-14-6-4-7-15(12-14)27-2)19(26)10-9-18-22-20(23-28-18)16-8-5-11-29-16/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,21,25)
InChIKeyNLWVTTWOFZDFDH-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.23
Rot. Bonds9

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

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 43022493) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID43022493
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C20H22N4O4S/c1-3-24(13-17(25)21-14-6-4-7-15(12-14)27-2)19(26)10-9-18-22-20(23-28-18)16-8-5-11-29-16/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,21,25)
InChIKeyNLWVTTWOFZDFDH-UHFFFAOYSA-N
XLogP3.23
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55686757
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 30839713
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111596630
N-(3-methylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17482609
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
3-(2-aminophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 120608072
2-[2-methoxyethyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119189502
N-methoxy-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012548
N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 43022493) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCc1nc(-c2cccs2)no1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is NLWVTTWOFZDFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-3-24(13-17(25)21-14-6-4-7-15(12-14)27-2)19(26)10-9-18-22-20(23-28-18)16-8-5-11-29-16/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,21,25).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 414.49 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 43022493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).