[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

C16H16N2O3S2 — CID 653677

IUPAC[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1
InChIInChI=1S/C16H16N2O3S2/c1-10(15(19)17-9-11-4-3-6-22-11)21-16(20)13-8-14-12(18(13)2)5-7-23-14/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyJSVDJDZFCCPNLJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.16
Rot. Bonds5

About [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 653677) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID653677
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1
InChIInChI=1S/C16H16N2O3S2/c1-10(15(19)17-9-11-4-3-6-22-11)21-16(20)13-8-14-12(18(13)2)5-7-23-14/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyJSVDJDZFCCPNLJ-UHFFFAOYSA-N
XLogP3.16
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 653677) is [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1.
What is the InChIKey of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is JSVDJDZFCCPNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-10(15(19)17-9-11-4-3-6-22-11)21-16(20)13-8-14-12(18(13)2)5-7-23-14/h3-8,10H,9H2,1-2H3,(H,17,19).
What are the key properties of [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 653677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).