N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

C22H21N3O3S — CID 16672682

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(-c3cccs3)cc3cccnc32)cc1OC
InChIInChI=1S/C22H21N3O3S/c1-27-18-8-7-15(11-19(18)28-2)13-24-21(26)14-25-17(20-6-4-10-29-20)12-16-5-3-9-23-22(16)25/h3-12H,13-14H2,1-2H3,(H,24,26)
InChIKeyIHUGYKJOWKAJDY-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.10
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (PubChem CID 16672682) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
PubChem CID16672682
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(-c3cccs3)cc3cccnc32)cc1OC
InChIInChI=1S/C22H21N3O3S/c1-27-18-8-7-15(11-19(18)28-2)13-24-21(26)14-25-17(20-6-4-10-29-20)12-16-5-3-9-23-22(16)25/h3-12H,13-14H2,1-2H3,(H,24,26)
InChIKeyIHUGYKJOWKAJDY-UHFFFAOYSA-N
XLogP4.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-dimethoxyphenyl)methyl]-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

Related Compounds

N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16676126
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 46962980
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]acetamide
CID 1472250
N-[(4-methoxyphenyl)methyl]-2-(7-oxo-4-thiophen-2-yl-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53172407
N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9361168
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121
N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907278
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370633
N-[(3,4-dimethoxyphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824137
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003782

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (CID 16672682) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is COc1ccc(CNC(=O)Cn2c(-c3cccs3)cc3cccnc32)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The InChIKey is IHUGYKJOWKAJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-27-18-8-7-15(11-19(18)28-2)13-24-21(26)14-25-17(20-6-4-10-29-20)12-16-5-3-9-23-22(16)25/h3-12H,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide has a molecular weight of 407.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 16672682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).