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

C15H14N2O3S2 — CID 655152

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)OCC(=O)NCc2cccs2)cc2sccc21
InChIInChI=1S/C15H14N2O3S2/c1-17-11-4-6-22-13(11)7-12(17)15(19)20-9-14(18)16-8-10-3-2-5-21-10/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyCKTQOTBBJHKELS-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.77
Rot. Bonds5

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

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 655152) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID655152
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)OCC(=O)NCc2cccs2)cc2sccc21
InChIInChI=1S/C15H14N2O3S2/c1-17-11-4-6-22-13(11)7-12(17)15(19)20-9-14(18)16-8-10-3-2-5-21-10/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyCKTQOTBBJHKELS-UHFFFAOYSA-N
XLogP2.77
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 4-{[ethyl(3-methylphenyl)carbamoyl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 16011099
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 649131
ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 292163
methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 7516684
methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 4058811
4-[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl]-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
CID 645743
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid cyclopentylcarbamoyl-pyridin-3-yl-methyl ester
CID 646158
4-Isopropoxycarbonylmethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 646834
4-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 648676
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid cyclopentylcarbamoyl-pyridin-4-yl-methyl ester
CID 650026
2-Methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
CID 650749
4-Ethoxycarbonylmethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 650948

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 655152) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is Cn1c(C(=O)OCC(=O)NCc2cccs2)cc2sccc21.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is CKTQOTBBJHKELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-17-11-4-6-22-13(11)7-12(17)15(19)20-9-14(18)16-8-10-3-2-5-21-10/h2-7H,8-9H2,1H3,(H,16,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 655152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).