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

C16H16N2O4S — CID 656050

IUPAC[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1
InChIInChI=1S/C16H16N2O4S/c1-10(15(19)17-9-11-4-3-6-21-11)22-16(20)13-8-14-12(18(13)2)5-7-23-14/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyHBWQCZJPILFRHD-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.69
Rot. Bonds5

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

[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 656050) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID656050
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1
InChIInChI=1S/C16H16N2O4S/c1-10(15(19)17-9-11-4-3-6-21-11)22-16(20)13-8-14-12(18(13)2)5-7-23-14/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyHBWQCZJPILFRHD-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 656050) is [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1.
What is the InChIKey of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HBWQCZJPILFRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10(15(19)17-9-11-4-3-6-21-11)22-16(20)13-8-14-12(18(13)2)5-7-23-14/h3-8,10H,9H2,1-2H3,(H,17,19).
What are the key properties of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 2.69, 5 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-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 656050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).