2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide

C17H19N5O3S — CID 24985283

IUPAC2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide
SMILESNCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(CC(N)=O)cc23)cc1
InChIInChI=1S/C17H19N5O3S/c18-6-8-21-26(24,25)13-3-1-11(2-4-13)14-5-7-20-17-15(14)9-12(22-17)10-16(19)23/h1-5,7,9,21H,6,8,10,18H2,(H2,19,23)(H,20,22)
InChIKeyVJODYKRXQHPRCX-UHFFFAOYSA-N
MW373.44 g/mol
LogP0.49
Rot. Bonds7

About 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide

2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide (PubChem CID 24985283) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide
PubChem CID24985283
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide
SMILESNCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(CC(N)=O)cc23)cc1
InChIInChI=1S/C17H19N5O3S/c18-6-8-21-26(24,25)13-3-1-11(2-4-13)14-5-7-20-17-15(14)9-12(22-17)10-16(19)23/h1-5,7,9,21H,6,8,10,18H2,(H2,19,23)(H,20,22)
InChIKeyVJODYKRXQHPRCX-UHFFFAOYSA-N
XLogP0.49
TPSA143.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide?
The IUPAC name of 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide (CID 24985283) is 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide is NCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(CC(N)=O)cc23)cc1.
What is the InChIKey of 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide?
The InChIKey is VJODYKRXQHPRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c18-6-8-21-26(24,25)13-3-1-11(2-4-13)14-5-7-20-17-15(14)9-12(22-17)10-16(19)23/h1-5,7,9,21H,6,8,10,18H2,(H2,19,23)(H,20,22).
What are the key properties of 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide?
2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide has a molecular weight of 373.44 g/mol, XLogP of 0.49, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-aminoethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 24985283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).