N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide

C21H19N3O5S — CID 166426864

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1cccs1
InChIInChI=1S/C21H19N3O5S/c1-21(2,15-4-3-9-30-15)20(29)22-11-5-6-12-13(10-11)19(28)24(18(12)27)14-7-8-16(25)23-17(14)26/h3-6,9-10,14H,7-8H2,1-2H3,(H,22,29)(H,23,25,26)
InChIKeyWPRMFHFBFUQWNI-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide (PubChem CID 166426864) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide
PubChem CID166426864
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1cccs1
InChIInChI=1S/C21H19N3O5S/c1-21(2,15-4-3-9-30-15)20(29)22-11-5-6-12-13(10-11)19(28)24(18(12)27)14-7-8-16(25)23-17(14)26/h3-6,9-10,14H,7-8H2,1-2H3,(H,22,29)(H,23,25,26)
InChIKeyWPRMFHFBFUQWNI-UHFFFAOYSA-N
XLogP2.07
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide (CID 166426864) is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide is CC(C)(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1cccs1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide?
The InChIKey is WPRMFHFBFUQWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-21(2,15-4-3-9-30-15)20(29)22-11-5-6-12-13(10-11)19(28)24(18(12)27)14-7-8-16(25)23-17(14)26/h3-6,9-10,14H,7-8H2,1-2H3,(H,22,29)(H,23,25,26).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 425.47 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 166426864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).