ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate

C14H16N2O3S — CID 82880240

IUPACethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Cc2cccs2)c[nH]c1C
InChIInChI=1S/C14H16N2O3S/c1-3-19-14(18)13-9(2)15-8-11(13)16-12(17)7-10-5-4-6-20-10/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyKAJFPWRAMASWGS-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.74
Rot. Bonds5

About ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate

ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate (PubChem CID 82880240) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate
PubChem CID82880240
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Nameethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Cc2cccs2)c[nH]c1C
InChIInChI=1S/C14H16N2O3S/c1-3-19-14(18)13-9(2)15-8-11(13)16-12(17)7-10-5-4-6-20-10/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyKAJFPWRAMASWGS-UHFFFAOYSA-N
XLogP2.74
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate (CID 82880240) is ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(NC(=O)Cc2cccs2)c[nH]c1C.
What is the InChIKey of ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate?
The InChIKey is KAJFPWRAMASWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-19-14(18)13-9(2)15-8-11(13)16-12(17)7-10-5-4-6-20-10/h4-6,8,15H,3,7H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate?
ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 82880240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).