N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide

C21H21N3O6S2 — CID 166425543

IUPACN-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide
SMILESCc1ccsc1S(=O)(=O)NCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H21N3O6S2/c1-12-8-10-31-21(12)32(29,30)22-9-2-3-13-4-5-14-15(11-13)20(28)24(19(14)27)16-6-7-17(25)23-18(16)26/h4-5,8,10-11,16,22H,2-3,6-7,9H2,1H3,(H,23,25,26)
InChIKeyHPWQJDCEHYRDDU-UHFFFAOYSA-N
MW475.55 g/mol
LogP1.37
Rot. Bonds7

About N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide

N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide (PubChem CID 166425543) has the molecular formula C21H21N3O6S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide
PubChem CID166425543
Molecular FormulaC21H21N3O6S2
Molecular Weight475.55 g/mol
Exact Mass475.09
IUPAC NameN-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide
SMILESCc1ccsc1S(=O)(=O)NCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H21N3O6S2/c1-12-8-10-31-21(12)32(29,30)22-9-2-3-13-4-5-14-15(11-13)20(28)24(19(14)27)16-6-7-17(25)23-18(16)26/h4-5,8,10-11,16,22H,2-3,6-7,9H2,1H3,(H,23,25,26)
InChIKeyHPWQJDCEHYRDDU-UHFFFAOYSA-N
XLogP1.37
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
5-[3-[[2-cyanoethyl(methyl)sulfamoyl]amino]propyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole
CID 166425498
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-4-methylpiperazine-1-carboxamide
CID 167810312
5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethyl methanesulfonate
CID 161284436
2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethyl 4-methylbenzenesulfonate
CID 171566923
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,2-dimethylbut-3-ynamide
CID 166425439
(2R,6S)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 166425521
2-(2,6-dioxopiperidin-3-yl)-5-[[methyl-[3-(methylamino)propyl]amino]methyl]isoindole-1,3-dione
CID 167735217
3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]propanoic acid
CID 146485046
5-[[(4-amino-4-methylpentyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716317
3-amino-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-1-methylpyrazole-4-carboxamide
CID 166425489

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide?
The IUPAC name of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide (CID 166425543) is N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide is Cc1ccsc1S(=O)(=O)NCCCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide?
The InChIKey is HPWQJDCEHYRDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S2/c1-12-8-10-31-21(12)32(29,30)22-9-2-3-13-4-5-14-15(11-13)20(28)24(19(14)27)16-6-7-17(25)23-18(16)26/h4-5,8,10-11,16,22H,2-3,6-7,9H2,1H3,(H,23,25,26).
What are the key properties of N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide?
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide has a molecular weight of 475.55 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-methylthiophene-2-sulfonamide is sourced from PubChem (CID 166425543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).