[2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

C16H16N2O4S — CID 2378830

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H16N2O4S/c1-10-3-8-14(23-10)16(21)22-9-15(20)18-13-6-4-12(5-7-13)17-11(2)19/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNVHMURLZEVVSCF-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.81
Rot. Bonds5

About [2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2378830) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2378830
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H16N2O4S/c1-10-3-8-14(23-10)16(21)22-9-15(20)18-13-6-4-12(5-7-13)17-11(2)19/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNVHMURLZEVVSCF-UHFFFAOYSA-N
XLogP2.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 2099546
[(3-Fluorophenyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2502269
[2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 5202071
[2-(3-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 1679565
[2-(3-Acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 2353604
[2-(4-Acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2379693
(2-Anilino-2-oxoethyl) 5-nitrothiophene-2-carboxylate
CID 2401195
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] thiophene-2-carboxylate
CID 2413185
[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432753
(2-Anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483565
[2-(4-Fluoroanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 2613612
[1-[4-(Dimethylamino)anilino]-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 3481272

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2378830) is [2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is NVHMURLZEVVSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-3-8-14(23-10)16(21)22-9-15(20)18-13-6-4-12(5-7-13)17-11(2)19/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2378830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).