N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide

C18H20N4O3S — CID 90556439

IUPACN-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCCn2ccc3cccnc32)cc1
InChIInChI=1S/C18H20N4O3S/c1-14(23)21-16-5-7-17(8-6-16)26(24,25)20-11-3-12-22-13-9-15-4-2-10-19-18(15)22/h2,4-10,13,20H,3,11-12H2,1H3,(H,21,23)
InChIKeyFMLMYCXTYKDWBJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.36
Rot. Bonds7

About N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide

N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide (PubChem CID 90556439) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide
PubChem CID90556439
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCCn2ccc3cccnc32)cc1
InChIInChI=1S/C18H20N4O3S/c1-14(23)21-16-5-7-17(8-6-16)26(24,25)20-11-3-12-22-13-9-15-4-2-10-19-18(15)22/h2,4-10,13,20H,3,11-12H2,1H3,(H,21,23)
InChIKeyFMLMYCXTYKDWBJ-UHFFFAOYSA-N
XLogP2.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzenesulfonamide
CID 90556477
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide
CID 90556457
1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
CID 90556407
N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 46286493
N-[4-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 50762311
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 53144886
N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide
CID 53021032
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 90588452
N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 55663375
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide (CID 90556439) is N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCCn2ccc3cccnc32)cc1.
What is the InChIKey of N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide?
The InChIKey is FMLMYCXTYKDWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-14(23)21-16-5-7-17(8-6-16)26(24,25)20-11-3-12-22-13-9-15-4-2-10-19-18(15)22/h2,4-10,13,20H,3,11-12H2,1H3,(H,21,23).
What are the key properties of N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide?
N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 90556439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).