(2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate

C17H18N2O4S — CID 2483565

IUPAC(2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-10-11(2)24-16(18-12(3)20)15(10)17(22)23-9-14(21)19-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRENFIPZRISOTBT-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.12
Rot. Bonds5

About (2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate

(2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate (PubChem CID 2483565) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
PubChem CID2483565
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-10-11(2)24-16(18-12(3)20)15(10)17(22)23-9-14(21)19-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRENFIPZRISOTBT-UHFFFAOYSA-N
XLogP3.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 698230
4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester
CID 809896
Ethyl 4-cyclopropyl-2-[[2-[3-(4-methylphenyl)sulfonylpropanoyloxy]acetyl]amino]thiophene-3-carboxylate
CID 4022728
Methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841141
methyl 2-(acetylamino)-4-methyl-5-(N-phenylcarbamoyl)thiophene-3-carboxylate
CID 846267
[(3-Fluorophenyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2502269
Methyl 4-(3-methylphenyl)-2-[(tetrahydro-2-furanylcarbonyl)amino]-3-thiophenecarboxylate
CID 2971567
Ethyl 4,5-dimethyl-2-[[2-(2-methylcyclopropanecarbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 4456612
Methyl 5-carbamoyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate
CID 2971587
Ethyl 2-[(3-chlorophenyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 5258457
Methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 1023160
Methyl 4-(4-fluorophenyl)-2-[(tetrahydro-2-furanylcarbonyl)amino]-3-thiophenecarboxylate
CID 2931989

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate (CID 2483565) is (2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate is CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is RENFIPZRISOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-10-11(2)24-16(18-12(3)20)15(10)17(22)23-9-14(21)19-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of (2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
(2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 2483565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).