ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate

C17H19NO3S — CID 735051

IUPACethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(C)=O
InChIInChI=1S/C17H19NO3S/c1-4-12-6-8-13(9-7-12)14-10-22-16(18-11(3)19)15(14)17(20)21-5-2/h6-10H,4-5H2,1-3H3,(H,18,19)
InChIKeyUVNTVMZIHCCEDS-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.11
Rot. Bonds5

About ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate

ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate (PubChem CID 735051) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate
PubChem CID735051
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Nameethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(C)=O
InChIInChI=1S/C17H19NO3S/c1-4-12-6-8-13(9-7-12)14-10-22-16(18-11(3)19)15(14)17(20)21-5-2/h6-10H,4-5H2,1-3H3,(H,18,19)
InChIKeyUVNTVMZIHCCEDS-UHFFFAOYSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-acetamido-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 734061
ethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 28693073
ethyl 4-(4-ethylphenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 19224306
ethyl 2-[(2-benzamidoacetyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 28693094
ethyl 4-(4-chlorophenyl)-2-(ethoxycarbonylamino)thiophene-3-carboxylate
CID 1291533
ethyl 2-(3-cyclohexylpropanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 28693110
ethyl 2-[3-(4-ethoxyphenyl)prop-2-enoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 3514725
ethyl 4-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 2305901
ethyl 4-(4-chlorophenyl)-2-(propanoylamino)thiophene-3-carboxylate
CID 725127
methyl 2-[(4-ethylbenzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 19229496
ethyl 4-(4-ethylphenyl)-2-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]thiophene-3-carboxylate
CID 4132350
4-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 40573892

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate (CID 735051) is ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate?
The InChIKey is UVNTVMZIHCCEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-4-12-6-8-13(9-7-12)14-10-22-16(18-11(3)19)15(14)17(20)21-5-2/h6-10H,4-5H2,1-3H3,(H,18,19).
What are the key properties of ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate?
ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate has a molecular weight of 317.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 735051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).