2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide

C20H16N2O5S — CID 121133461

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(C(O)c2ccco2)s1
InChIInChI=1S/C20H16N2O5S/c23-17(11-22-19(25)13-4-1-2-5-14(13)20(22)26)21-10-12-7-8-16(28-12)18(24)15-6-3-9-27-15/h1-9,18,24H,10-11H2,(H,21,23)
InChIKeyPBEFTNNLPFKSOQ-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.34
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide (PubChem CID 121133461) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
PubChem CID121133461
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(C(O)c2ccco2)s1
InChIInChI=1S/C20H16N2O5S/c23-17(11-22-19(25)13-4-1-2-5-14(13)20(22)26)21-10-12-7-8-16(28-12)18(24)15-6-3-9-27-15/h1-9,18,24H,10-11H2,(H,21,23)
InChIKeyPBEFTNNLPFKSOQ-UHFFFAOYSA-N
XLogP2.34
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873436
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121133399
4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873348
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
CID 121133418
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 86981058
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 121133602
1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea
CID 121133668
2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873352
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121133649
N'-(2-cyanophenyl)-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
CID 99873406

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide (CID 121133461) is 2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(C(O)c2ccco2)s1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is PBEFTNNLPFKSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c23-17(11-22-19(25)13-4-1-2-5-14(13)20(22)26)21-10-12-7-8-16(28-12)18(24)15-6-3-9-27-15/h1-9,18,24H,10-11H2,(H,21,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 396.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 121133461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).