ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate

C12H15NO3S — CID 704424

IUPACethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(C)=O
InChIInChI=1S/C12H15NO3S/c1-3-16-12(15)10-9(8-4-5-8)6-17-11(10)13-7(2)14/h6,8H,3-5H2,1-2H3,(H,13,14)
InChIKeyWPFXUWHHLFCUCC-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.76
Rot. Bonds4

About ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate

ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate (PubChem CID 704424) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate
PubChem CID704424
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Nameethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(C)=O
InChIInChI=1S/C12H15NO3S/c1-3-16-12(15)10-9(8-4-5-8)6-17-11(10)13-7(2)14/h6,8H,3-5H2,1-2H3,(H,13,14)
InChIKeyWPFXUWHHLFCUCC-UHFFFAOYSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
CID 3761339
Methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
CID 638858
Ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
CID 673140
2-[(2-Methyl-1-oxopropyl)amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid
CID 805261
Methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 5158903
Methyl 2-amino-4-cyclopropylthiophene-3-carboxylate
CID 5325006
Ethyl 5-acetyl-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
CID 648287
Ethyl 2-(cyclopropylcarbonylamino)-5-ethylthiophene-3-carboxylate
CID 658822
4-Isobutyl-2-isobutyrylamino-thiophene-3-carboxylic acid ethyl ester
CID 916359
Methyl 4,5-dimethyl-2-[(2-thienylacetyl)amino]-3-thiophenecarboxylate
CID 1245885
Ethyl 2-[[2-(dimethylcarbamothioylsulfanyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2536037
2-(2-Chloro-acetylamino)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester
CID 3762369

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate (CID 704424) is ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate?
The InChIKey is WPFXUWHHLFCUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-16-12(15)10-9(8-4-5-8)6-17-11(10)13-7(2)14/h6,8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate?
ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate has a molecular weight of 253.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-4-cyclopropylthiophene-3-carboxylate is sourced from PubChem (CID 704424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).