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

C21H18N4O3S — CID 67182767

IUPACN-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc3[nH]c(-c4cccc(S(N)(=O)=O)c4)cc23)c1
InChIInChI=1S/C21H18N4O3S/c1-13(26)24-16-6-2-4-14(10-16)18-8-9-23-21-19(18)12-20(25-21)15-5-3-7-17(11-15)29(22,27)28/h2-12H,1H3,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyRVKVEVSWJMZUOP-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.50
Rot. Bonds4

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

N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide (PubChem CID 67182767) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
PubChem CID67182767
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc3[nH]c(-c4cccc(S(N)(=O)=O)c4)cc23)c1
InChIInChI=1S/C21H18N4O3S/c1-13(26)24-16-6-2-4-14(10-16)18-8-9-23-21-19(18)12-20(25-21)15-5-3-7-17(11-15)29(22,27)28/h2-12H,1H3,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyRVKVEVSWJMZUOP-UHFFFAOYSA-N
XLogP3.50
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]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-[4-(3-acetamidophenyl)-8-methoxyquinolin-7-yl]acetamide
CID 155168993
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
1-[5-[2-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,3-thiazol-2-yl]cyclobutan-1-ol
CID 54674840
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
N-[3-[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]acetamide
CID 90001314
5-[4-(3-sulfamoylphenyl)quinolin-6-yl]pyridine-3-sulfonamide
CID 59860041
N-[3-[5-(benzenesulfonyl)-4-[1-ethyl-3-[4-(ethylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]acetamide
CID 90703597
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide
CID 126474142
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
1-[3-[4-[2-[4-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-3-phenylurea
CID 25025889

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide (CID 67182767) is N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccnc3[nH]c(-c4cccc(S(N)(=O)=O)c4)cc23)c1.
What is the InChIKey of N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
The InChIKey is RVKVEVSWJMZUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-13(26)24-16-6-2-4-14(10-16)18-8-9-23-21-19(18)12-20(25-21)15-5-3-7-17(11-15)29(22,27)28/h2-12H,1H3,(H,23,25)(H,24,26)(H2,22,27,28).
What are the key properties of N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide has a molecular weight of 406.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 67182767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).