[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

C15H14N2O4S — CID 654576

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)OCC(=O)NCc2ccco2)cc2sccc21
InChIInChI=1S/C15H14N2O4S/c1-17-11-4-6-22-13(11)7-12(17)15(19)21-9-14(18)16-8-10-3-2-5-20-10/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyNFISNRLUPUCMSW-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.31
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 654576) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID654576
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)OCC(=O)NCc2ccco2)cc2sccc21
InChIInChI=1S/C15H14N2O4S/c1-17-11-4-6-22-13(11)7-12(17)15(19)21-9-14(18)16-8-10-3-2-5-20-10/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyNFISNRLUPUCMSW-UHFFFAOYSA-N
XLogP2.31
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide
CID 3240671
[4-(Furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone
CID 5308796
4-(4-Fluoro-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 644788
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (1,1-dimethyl-propylcarbamoyl)-(4-methoxy-phenyl)-methyl ester
CID 645010
4-[(3,4-Dimethoxy-phenylcarbamoyl)-methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 645798
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 651472
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 651900
4-[2-(2,4-Dimethoxyanilino)-2-oxoethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
CID 651986
4-Isopropyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid [(thiophen-2-ylmethyl)-carbamoyl]-methyl ester
CID 653115
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 2-methyl-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 653323
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 1-[(thiophen-2-ylmethyl)-carbamoyl]-ethyl ester
CID 653677
4-Methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester
CID 655152

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 654576) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is Cn1c(C(=O)OCC(=O)NCc2ccco2)cc2sccc21.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is NFISNRLUPUCMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-17-11-4-6-22-13(11)7-12(17)15(19)21-9-14(18)16-8-10-3-2-5-20-10/h2-7H,8-9H2,1H3,(H,16,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 654576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).