[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

C17H18N2O4S — CID 647733

IUPAC[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1
InChIInChI=1S/C17H18N2O4S/c1-3-14(16(20)18-10-11-5-4-7-22-11)23-17(21)13-9-15-12(19(13)2)6-8-24-15/h4-9,14H,3,10H2,1-2H3,(H,18,20)
InChIKeyCVOQWNSBXBOAPA-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.08
Rot. Bonds6

About [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 647733) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID647733
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1
InChIInChI=1S/C17H18N2O4S/c1-3-14(16(20)18-10-11-5-4-7-22-11)23-17(21)13-9-15-12(19(13)2)6-8-24-15/h4-9,14H,3,10H2,1-2H3,(H,18,20)
InChIKeyCVOQWNSBXBOAPA-UHFFFAOYSA-N
XLogP3.08
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

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-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 1-[(benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-ethyl ester
CID 645526
4-[(3,4-Dimethoxy-phenylcarbamoyl)-methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 645798
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid cyclopentylcarbamoyl-pyridin-4-yl-methyl ester
CID 650026
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

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 647733) is [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1.
What is the InChIKey of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is CVOQWNSBXBOAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-14(16(20)18-10-11-5-4-7-22-11)23-17(21)13-9-15-12(19(13)2)6-8-24-15/h4-9,14H,3,10H2,1-2H3,(H,18,20).
What are the key properties of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 647733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).