2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C17H16N4O5S — CID 113201848

IUPAC2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C17H16N4O5S/c18-27(25,26)12-5-3-11(4-6-12)7-9-19-14(22)10-21-16(23)13-2-1-8-20-15(13)17(21)24/h1-6,8H,7,9-10H2,(H,19,22)(H2,18,25,26)
InChIKeyGVWIOVSRVQRYMS-UHFFFAOYSA-N
MW388.41 g/mol
LogP-0.32
Rot. Bonds6

About 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 113201848) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID113201848
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C17H16N4O5S/c18-27(25,26)12-5-3-11(4-6-12)7-9-19-14(22)10-21-16(23)13-2-1-8-20-15(13)17(21)24/h1-6,8H,7,9-10H2,(H,19,22)(H2,18,25,26)
InChIKeyGVWIOVSRVQRYMS-UHFFFAOYSA-N
XLogP-0.32
TPSA139.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 5-0.32
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

2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113201840
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2078489
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3-phenylpropanamide
CID 113082146
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N-[2-(3-chlorophenyl)ethyl]-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202565
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 46520228
2-(2-aminoethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84557592
N-(2,6-difluorophenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201972
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
CID 113201904
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 41153699
N-(3-bromo-4-methylphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201916

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 113201848) is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3cccnc3C2=O)cc1.
What is the InChIKey of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is GVWIOVSRVQRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c18-27(25,26)12-5-3-11(4-6-12)7-9-19-14(22)10-21-16(23)13-2-1-8-20-15(13)17(21)24/h1-6,8H,7,9-10H2,(H,19,22)(H2,18,25,26).
What are the key properties of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 388.41 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 113201848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).