N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide

C22H25F2N3O4S — CID 46535281

IUPACN-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H25F2N3O4S/c1-3-26(4-2)32(30,31)17-6-8-20-15(13-17)10-12-27(20)21(28)9-11-25-22(29)18-7-5-16(23)14-19(18)24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,29)
InChIKeyMTANXTBBGXAVBR-UHFFFAOYSA-N
MW465.52 g/mol
LogP2.70
Rot. Bonds8

About N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 46535281) has the molecular formula C22H25F2N3O4S and a molecular weight of 465.52 g/mol. Its IUPAC name is N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID46535281
Molecular FormulaC22H25F2N3O4S
Molecular Weight465.52 g/mol
Exact Mass465.15
IUPAC NameN-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H25F2N3O4S/c1-3-26(4-2)32(30,31)17-6-8-20-15(13-17)10-12-27(20)21(28)9-11-25-22(29)18-7-5-16(23)14-19(18)24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,29)
InChIKeyMTANXTBBGXAVBR-UHFFFAOYSA-N
XLogP2.70
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide (CID 46535281) is N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is MTANXTBBGXAVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4S/c1-3-26(4-2)32(30,31)17-6-8-20-15(13-17)10-12-27(20)21(28)9-11-25-22(29)18-7-5-16(23)14-19(18)24/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,29).
What are the key properties of N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 465.52 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 46535281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).