ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate

C12H15N3O4S2 — CID 104710371

IUPACethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H15N3O4S2/c1-4-19-12(16)9-7-8(2)20-11(9)14-21(17,18)10-5-6-13-15(10)3/h5-7,14H,4H2,1-3H3
InChIKeyIDRKYUCJJJVFOQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.77
Rot. Bonds5

About ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate

ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate (PubChem CID 104710371) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate
PubChem CID104710371
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Nameethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H15N3O4S2/c1-4-19-12(16)9-7-8(2)20-11(9)14-21(17,18)10-5-6-13-15(10)3/h5-7,14H,4H2,1-3H3
InChIKeyIDRKYUCJJJVFOQ-UHFFFAOYSA-N
XLogP1.77
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate (CID 104710371) is ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NS(=O)(=O)c1ccnn1C.
What is the InChIKey of ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate?
The InChIKey is IDRKYUCJJJVFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-4-19-12(16)9-7-8(2)20-11(9)14-21(17,18)10-5-6-13-15(10)3/h5-7,14H,4H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate?
ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate is sourced from PubChem (CID 104710371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).