4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide

C22H25N3O5S2 — CID 155316225

IUPAC4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2scc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C22H25N3O5S2/c1-22(2,3)13-4-6-14(7-5-13)32(29,30)23-10-18-15-11-25(21(28)16(15)12-31-18)17-8-9-19(26)24-20(17)27/h4-7,12,17,23H,8-11H2,1-3H3,(H,24,26,27)
InChIKeyPBQMEBZRNZETLB-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.29
Rot. Bonds5

About 4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide

4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide (PubChem CID 155316225) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide
PubChem CID155316225
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC Name4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2scc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C22H25N3O5S2/c1-22(2,3)13-4-6-14(7-5-13)32(29,30)23-10-18-15-11-25(21(28)16(15)12-31-18)17-8-9-19(26)24-20(17)27/h4-7,12,17,23H,8-11H2,1-3H3,(H,24,26,27)
InChIKeyPBQMEBZRNZETLB-UHFFFAOYSA-N
XLogP2.29
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.29
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

3-[3-[[(4-tert-butylphenyl)sulfanylamino]methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 155354867
1-(4-tert-butylphenyl)-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]urea
CID 155316217
1-(4-tert-butylphenyl)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]cyclopropane-1-carboxamide
CID 155316158
N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide
CID 155761911
4-tert-butyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]benzenesulfonamide
CID 167808346
N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(4-hydroxyphenyl)-2-oxoacetamide
CID 155316294
3-[3-[(4-methylphenoxy)methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 163269119
3-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167543714
3-[(4-tert-butylphenoxy)methyl]-5-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4H-thieno[3,4-c]pyrrol-6-one;molecular hydrogen
CID 163855419
2-(4-chlorophenyl)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-oxoacetamide
CID 155316321
2-(4-tert-butylphenyl)-N-[2-[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]ethyl]-2-oxoacetamide;3-[3-[4-[4-(1-methylcyclopropyl)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 162056899
2-(4-tert-butylphenyl)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-N-methyl-2-oxoacetamide;2-(4-tert-butylphenyl)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]methyl]-2-oxoacetamide
CID 167616548

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide (CID 155316225) is 4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCc2scc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1.
What is the InChIKey of 4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide?
The InChIKey is PBQMEBZRNZETLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-22(2,3)13-4-6-14(7-5-13)32(29,30)23-10-18-15-11-25(21(28)16(15)12-31-18)17-8-9-19(26)24-20(17)27/h4-7,12,17,23H,8-11H2,1-3H3,(H,24,26,27).
What are the key properties of 4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide?
4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide has a molecular weight of 475.59 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 155316225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).