ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate

C14H14N2O3S — CID 87591712

IUPACethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2NC=O)csc1N
InChIInChI=1S/C14H14N2O3S/c1-2-19-14(18)12-10(7-20-13(12)15)9-5-3-4-6-11(9)16-8-17/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyCPYIHKLKNIEKCN-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.74
Rot. Bonds5

About ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate

ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate (PubChem CID 87591712) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate
PubChem CID87591712
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Nameethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2NC=O)csc1N
InChIInChI=1S/C14H14N2O3S/c1-2-19-14(18)12-10(7-20-13(12)15)9-5-3-4-6-11(9)16-8-17/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyCPYIHKLKNIEKCN-UHFFFAOYSA-N
XLogP2.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-formamido-4-(4-phenylphenyl)thiophene-3-carboxylate
CID 1049899
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
ethyl 2-amino-4-phenylthiophene-3-carboxylate;ethyl 2-cyano-3-phenylbut-2-enoate
CID 158643545
ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate
CID 43438925
2-(1,3-dioxoisoindol-2-yl)-4-(2-formamidophenyl)thiophene-3-carboxylic acid
CID 87592547
ethyl 2-amino-4-(4-bromo-2-chlorophenyl)thiophene-3-carboxylate
CID 82774232
ethyl 2-amino-4-(2,4-dichloro-5-fluorophenyl)thiophene-3-carboxylate
CID 63472275
ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
CID 14142699
ethyl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076033

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate (CID 87591712) is ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccccc2NC=O)csc1N.
What is the InChIKey of ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate?
The InChIKey is CPYIHKLKNIEKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-19-14(18)12-10(7-20-13(12)15)9-5-3-4-6-11(9)16-8-17/h3-8H,2,15H2,1H3,(H,16,17).
What are the key properties of ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate?
ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-formamidophenyl)thiophene-3-carboxylate is sourced from PubChem (CID 87591712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).