ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate

C16H19N3O3S — CID 142837418

IUPACethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate
SMILESCCNCC(=O)Nc1scc(-c2ccncc2)c1C(=O)OCC
InChIInChI=1S/C16H19N3O3S/c1-3-17-9-13(20)19-15-14(16(21)22-4-2)12(10-23-15)11-5-7-18-8-6-11/h5-8,10,17H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyHYHQMQPQBDCCMA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.53
Rot. Bonds7

About ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate

ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate (PubChem CID 142837418) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate
PubChem CID142837418
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Nameethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate
SMILESCCNCC(=O)Nc1scc(-c2ccncc2)c1C(=O)OCC
InChIInChI=1S/C16H19N3O3S/c1-3-17-9-13(20)19-15-14(16(21)22-4-2)12(10-23-15)11-5-7-18-8-6-11/h5-8,10,17H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyHYHQMQPQBDCCMA-UHFFFAOYSA-N
XLogP2.53
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-chlorophenyl)-2-(propanoylamino)thiophene-3-carboxylate
CID 725127
ethyl 4-(4-fluorophenyl)-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate
CID 2110612
4-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 40573892
ethyl 2-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 8547831
ethyl 2-acetamido-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 735051
ethyl 4-(4-methylphenyl)-2-[[2-(1-pyridin-3-ylethylamino)acetyl]amino]thiophene-3-carboxylate
CID 112801780
ethyl 4-phenyl-2-[[2-(1-pyridin-3-ylethylamino)acetyl]amino]thiophene-3-carboxylate
CID 112801816
ethyl 2-(ethylcarbamoylamino)-4-phenylthiophene-3-carboxylate
CID 19850799
ethyl 4-(4-chlorophenyl)-2-[(2-methoxyacetyl)amino]thiophene-3-carboxylate
CID 1088948
ethyl 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 84561309
ethyl 2-(dodecanoylamino)-4-phenylthiophene-3-carboxylate
CID 3474274
ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2132970

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate (CID 142837418) is ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate is CCNCC(=O)Nc1scc(-c2ccncc2)c1C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate?
The InChIKey is HYHQMQPQBDCCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-17-9-13(20)19-15-14(16(21)22-4-2)12(10-23-15)11-5-7-18-8-6-11/h5-8,10,17H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate?
ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate has a molecular weight of 333.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(ethylamino)acetyl]amino]-4-pyridin-4-ylthiophene-3-carboxylate is sourced from PubChem (CID 142837418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).