N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide

C25H25F2N3O3S — CID 122179035

IUPACN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCCc1ccccc1)CC2
InChIInChI=1S/C25H25F2N3O3S/c1-17(31)28-24-16-21(34(32,33)29-23-10-9-20(26)15-22(23)27)14-19-11-13-30(25(19)24)12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,14-16,29H,5,8,11-13H2,1H3,(H,28,31)
InChIKeyAFZQRJFFVGYHPD-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.72
Rot. Bonds8

About N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide (PubChem CID 122179035) has the molecular formula C25H25F2N3O3S and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide
PubChem CID122179035
Molecular FormulaC25H25F2N3O3S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC NameN-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCCc1ccccc1)CC2
InChIInChI=1S/C25H25F2N3O3S/c1-17(31)28-24-16-21(34(32,33)29-23-10-9-20(26)15-22(23)27)14-19-11-13-30(25(19)24)12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,14-16,29H,5,8,11-13H2,1H3,(H,28,31)
InChIKeyAFZQRJFFVGYHPD-UHFFFAOYSA-N
XLogP4.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide?
The IUPAC name of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide (CID 122179035) is N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide.
What is the SMILES notation for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide?
The canonical SMILES for N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide is CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCCc1ccccc1)CC2.
What is the InChIKey of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide?
The InChIKey is AFZQRJFFVGYHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O3S/c1-17(31)28-24-16-21(34(32,33)29-23-10-9-20(26)15-22(23)27)14-19-11-13-30(25(19)24)12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,14-16,29H,5,8,11-13H2,1H3,(H,28,31).
What are the key properties of N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide?
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide has a molecular weight of 485.56 g/mol, XLogP of 4.72, 8 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-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide is sourced from PubChem (CID 122179035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).