ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

C19H22N2O3S2 — CID 53056603

About ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate

ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 53056603) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
• PubChem CID: 53056603
• Molecular Formula: C19H22N2O3S2
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.11
• IUPAC Name: ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
• SMILES: CCOC(=O)c1cc2ccsc2n1CC(=O)NC(c1cccs1)C(C)C
• InChI: InChI=1S/C19H22N2O3S2/c1-4-24-19(23)14-10-13-7-9-26-18(13)21(14)11-16(22)20-17(12(2)3)15-6-5-8-25-15/h5-10,12,17H,4,11H2,1-3H3,(H,20,22)
• InChIKey: GKGUCJNJARVJNE-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?

The IUPAC name of ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 53056603) is ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate.

What is the SMILES notation for ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?

The canonical SMILES for ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2ccsc2n1CC(=O)NC(c1cccs1)C(C)C.

What is the InChIKey of ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?

The InChIKey is GKGUCJNJARVJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-4-24-19(23)14-10-13-7-9-26-18(13)21(14)11-16(22)20-17(12(2)3)15-6-5-8-25-15/h5-10,12,17H,4,11H2,1-3H3,(H,20,22).

What are the key properties of ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate?

ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 390.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 53056603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).