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

C16H16N2O4S — CID 3228588

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCc1cc2c(cc(C(=O)OCC(=O)NCc3ccco3)n2C)s1
InChIInChI=1S/C16H16N2O4S/c1-10-6-12-14(23-10)7-13(18(12)2)16(20)22-9-15(19)17-8-11-4-3-5-21-11/h3-7H,8-9H2,1-2H3,(H,17,19)
InChIKeyCHIODNJXWJIRCD-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.61
Rot. Bonds5

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

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 3228588) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID3228588
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCc1cc2c(cc(C(=O)OCC(=O)NCc3ccco3)n2C)s1
InChIInChI=1S/C16H16N2O4S/c1-10-6-12-14(23-10)7-13(18(12)2)16(20)22-9-15(19)17-8-11-4-3-5-21-11/h3-7H,8-9H2,1-2H3,(H,17,19)
InChIKeyCHIODNJXWJIRCD-UHFFFAOYSA-N
XLogP2.61
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate with MolForge

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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-[(2,3-Dihydro-benzo[1,4]dioxin-6-ylcarbamoyl)-methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 646127
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-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-4H-thieno[3,2-b]pyrrole-5-carboxylic acid [(furan-2-ylmethyl)-carbamoyl]-methyl ester
CID 654576

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate (CID 3228588) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate is Cc1cc2c(cc(C(=O)OCC(=O)NCc3ccco3)n2C)s1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is CHIODNJXWJIRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-6-12-14(23-10)7-13(18(12)2)16(20)22-9-15(19)17-8-11-4-3-5-21-11/h3-7H,8-9H2,1-2H3,(H,17,19).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 2.61, 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] 2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3228588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).