[2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C16H16N2O4S — CID 7835033

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2sccc2C)c1
InChIInChI=1S/C16H16N2O4S/c1-10-6-7-23-15(10)16(21)22-9-14(20)18-13-5-3-4-12(8-13)17-11(2)19/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPEYLZRPBPHLSKC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.81
Rot. Bonds5

About [2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 7835033) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID7835033
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2sccc2C)c1
InChIInChI=1S/C16H16N2O4S/c1-10-6-7-23-15(10)16(21)22-9-14(20)18-13-5-3-4-12(8-13)17-11(2)19/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyPEYLZRPBPHLSKC-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-(3-chloroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502493
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2715202
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2430405
[2-(2,6-diethylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7837716
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502300
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2433030
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 3-methylthiophene-2-carboxylate
CID 2351108
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3945718
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7837711
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722951
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 7835033) is [2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is CC(=O)Nc1cccc(NC(=O)COC(=O)c2sccc2C)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is PEYLZRPBPHLSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-6-7-23-15(10)16(21)22-9-14(20)18-13-5-3-4-12(8-13)17-11(2)19/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(3-acetamidoanilino)-2-oxoethyl] 3-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-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 7835033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).