N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide

C20H20N4O6S — CID 167989719

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide
SMILESCOc1cncc(S(=O)(=O)NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1
InChIInChI=1S/C20H20N4O6S/c1-30-14-7-15(10-21-9-14)31(28,29)22-8-12-2-3-13-11-24(20(27)16(13)6-12)17-4-5-18(25)23-19(17)26/h2-3,6-7,9-10,17,22H,4-5,8,11H2,1H3,(H,23,25,26)
InChIKeyVHCOVMIWYHNLEN-UHFFFAOYSA-N
MW444.47 g/mol
LogP0.33
Rot. Bonds6

About N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide

N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide (PubChem CID 167989719) has the molecular formula C20H20N4O6S and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide
PubChem CID167989719
Molecular FormulaC20H20N4O6S
Molecular Weight444.47 g/mol
Exact Mass444.11
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide
SMILESCOc1cncc(S(=O)(=O)NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1
InChIInChI=1S/C20H20N4O6S/c1-30-14-7-15(10-21-9-14)31(28,29)22-8-12-2-3-13-11-24(20(27)16(13)6-12)17-4-5-18(25)23-19(17)26/h2-3,6-7,9-10,17,22H,4-5,8,11H2,1H3,(H,23,25,26)
InChIKeyVHCOVMIWYHNLEN-UHFFFAOYSA-N
XLogP0.33
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 167786630
3-[5-[[[3-(2-aminoethyl)cyclobutyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728972
3-[5-[[[3-(methoxymethyl)pyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714397
3-[3-oxo-5-[[[(3R)-piperidin-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740508
3-[5-[(azepan-4-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715327
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
(3-methoxycyclobutyl) N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 175885219
3-[5-[[[(2S)-2-aminobutyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730010
3-[5-[(2-aminobutylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718983
3-[5-[[(2,2-dimethylpiperidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726529
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide (CID 167989719) is N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide is COc1cncc(S(=O)(=O)NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide?
The InChIKey is VHCOVMIWYHNLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6S/c1-30-14-7-15(10-21-9-14)31(28,29)22-8-12-2-3-13-11-24(20(27)16(13)6-12)17-4-5-18(25)23-19(17)26/h2-3,6-7,9-10,17,22H,4-5,8,11H2,1H3,(H,23,25,26).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide has a molecular weight of 444.47 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-5-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 167989719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).