N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C20H24N2O4S — CID 78797825

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCC(=O)c1ccc(C)s1
InChIInChI=1S/C20H24N2O4S/c1-4-22(13-19(24)21-15-6-5-7-16(12-15)26-3)20(25)11-9-17(23)18-10-8-14(2)27-18/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,21,24)
InChIKeyDPYKIMBVQZEOSN-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.52
Rot. Bonds9

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 78797825) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID78797825
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCC(=O)c1ccc(C)s1
InChIInChI=1S/C20H24N2O4S/c1-4-22(13-19(24)21-15-6-5-7-16(12-15)26-3)20(25)11-9-17(23)18-10-8-14(2)27-18/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,21,24)
InChIKeyDPYKIMBVQZEOSN-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxobutanamide
CID 55369935
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46582138
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 55484737
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55702362
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
3-(2-aminophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 120608072
2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide
CID 119729089
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 78797825) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCC(=O)c1ccc(C)s1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is DPYKIMBVQZEOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-22(13-19(24)21-15-6-5-7-16(12-15)26-3)20(25)11-9-17(23)18-10-8-14(2)27-18/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,21,24).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 388.49 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 78797825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).