ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate

C17H20N2O3S — CID 60512305

IUPACethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CN(CC)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-3-19(13-8-6-5-7-9-13)12-15(20)18-16-14(10-11-23-16)17(21)22-4-2/h5-11H,3-4,12H2,1-2H3,(H,18,20)
InChIKeyYLQNBVANPQLYFH-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.39
Rot. Bonds7

About ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate (PubChem CID 60512305) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate
PubChem CID60512305
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Nameethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CN(CC)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-3-19(13-8-6-5-7-9-13)12-15(20)18-16-14(10-11-23-16)17(21)22-4-2/h5-11H,3-4,12H2,1-2H3,(H,18,20)
InChIKeyYLQNBVANPQLYFH-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 38366260
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CID 41428664
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
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ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
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ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292
ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
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ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]thiophene-3-carboxylate
CID 41044645
ethyl 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]thiophene-3-carboxylate
CID 79207789

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate (CID 60512305) is ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)CN(CC)c1ccccc1.
What is the InChIKey of ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is YLQNBVANPQLYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-19(13-8-6-5-7-9-13)12-15(20)18-16-14(10-11-23-16)17(21)22-4-2/h5-11H,3-4,12H2,1-2H3,(H,18,20).
What are the key properties of ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 332.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 60512305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).