N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide

C24H21F2N3O3S — CID 122179029

IUPACN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2ccn(CCc3ccccc3)c12
InChIInChI=1S/C24H21F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,10,12-15,28H,9,11H2,1H3,(H,27,30)
InChIKeyJAGJIIDPPPZZJV-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.92
Rot. Bonds7

About N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide (PubChem CID 122179029) has the molecular formula C24H21F2N3O3S and a molecular weight of 469.51 g/mol. Its IUPAC name is N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide
PubChem CID122179029
Molecular FormulaC24H21F2N3O3S
Molecular Weight469.51 g/mol
Exact Mass469.13
IUPAC NameN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2ccn(CCc3ccccc3)c12
InChIInChI=1S/C24H21F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,10,12-15,28H,9,11H2,1H3,(H,27,30)
InChIKeyJAGJIIDPPPZZJV-UHFFFAOYSA-N
XLogP4.92
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-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-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide?
The IUPAC name of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide (CID 122179029) is N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide.
What is the SMILES notation for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide?
The canonical SMILES for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide is CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2ccn(CCc3ccccc3)c12.
What is the InChIKey of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide?
The InChIKey is JAGJIIDPPPZZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,10,12-15,28H,9,11H2,1H3,(H,27,30).
What are the key properties of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide?
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide has a molecular weight of 469.51 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)indol-7-yl]acetamide is sourced from PubChem (CID 122179029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).