N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

C17H19N3OS — CID 16676126

IUPACN-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1c(-c2cccs2)cc2cccnc21
InChIInChI=1S/C17H19N3OS/c1-17(2,3)19-15(21)11-20-13(14-7-5-9-22-14)10-12-6-4-8-18-16(12)20/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyJIBFOWFUCBUEBR-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.68
Rot. Bonds3

About N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (PubChem CID 16676126) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
PubChem CID16676126
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1c(-c2cccs2)cc2cccnc21
InChIInChI=1S/C17H19N3OS/c1-17(2,3)19-15(21)11-20-13(14-7-5-9-22-14)10-12-6-4-8-18-16(12)20/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyJIBFOWFUCBUEBR-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-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 N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (CID 16676126) is N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is CC(C)(C)NC(=O)Cn1c(-c2cccs2)cc2cccnc21.
What is the InChIKey of N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The InChIKey is JIBFOWFUCBUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-17(2,3)19-15(21)11-20-13(14-7-5-9-22-14)10-12-6-4-8-18-16(12)20/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide has a molecular weight of 313.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 16676126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).