ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate

C19H19N3O3S — CID 51129222

IUPACethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(c2ccccc2)n2cccn2)cc1C
InChIInChI=1S/C19H19N3O3S/c1-3-25-19(24)17-13(2)12-15(26-17)21-18(23)16(22-11-7-10-20-22)14-8-5-4-6-9-14/h4-12,16H,3H2,1-2H3,(H,21,23)
InChIKeyVNUPPIYUXQGKKJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.66
Rot. Bonds6

About ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate (PubChem CID 51129222) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate
PubChem CID51129222
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Nameethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(c2ccccc2)n2cccn2)cc1C
InChIInChI=1S/C19H19N3O3S/c1-3-25-19(24)17-13(2)12-15(26-17)21-18(23)16(22-11-7-10-20-22)14-8-5-4-6-9-14/h4-12,16H,3H2,1-2H3,(H,21,23)
InChIKeyVNUPPIYUXQGKKJ-UHFFFAOYSA-N
XLogP3.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-5-[[(2R)-2-phenylbutanoyl]amino]thiophene-2-carboxylate
CID 40972106
ethyl 3-methyl-5-[(2-phenylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 7254718
ethyl 3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylate
CID 43423820
ethyl 3-methyl-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 24569527
ethyl 3-methyl-5-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate
CID 55414035
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 3-methyl-5-[[2-(2-phenylsulfanylpropanoyloxy)acetyl]amino]thiophene-2-carboxylate
CID 55467782
propyl 2-phenyl-2-pyrazol-1-ylacetate
CID 75417530
ethyl 3-methyl-5-[2-(4-methylphenoxy)propanoylamino]thiophene-2-carboxylate
CID 112794458
2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 119223934
ethyl 3-methyl-5-[(4-propan-2-ylbenzoyl)amino]thiophene-2-carboxylate
CID 2353845
ethyl 3-methyl-5-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 56528750

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate (CID 51129222) is ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)C(c2ccccc2)n2cccn2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate?
The InChIKey is VNUPPIYUXQGKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-25-19(24)17-13(2)12-15(26-17)21-18(23)16(22-11-7-10-20-22)14-8-5-4-6-9-14/h4-12,16H,3H2,1-2H3,(H,21,23).
What are the key properties of ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate has a molecular weight of 369.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 51129222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).