N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C26H28N2O3S — CID 164615346

IUPACN-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C26H28N2O3S/c1-2-32(30,31)24-13-9-21(10-14-24)19-26(29)27-23-11-7-20(8-12-23)15-17-28-18-16-22-5-3-4-6-25(22)28/h3-14H,2,15-19H2,1H3,(H,27,29)
InChIKeyFZVUBEUZBYPQNL-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.27
Rot. Bonds8

About N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 164615346) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID164615346
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC NameN-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C26H28N2O3S/c1-2-32(30,31)24-13-9-21(10-14-24)19-26(29)27-23-11-7-20(8-12-23)15-17-28-18-16-22-5-3-4-6-25(22)28/h3-14H,2,15-19H2,1H3,(H,27,29)
InChIKeyFZVUBEUZBYPQNL-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56553200
N-[4-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654347
2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4784422
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide
CID 175369454
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-[4-[2-(2,3-dihydroindol-1-yl)ethylsulfinamoyl]phenyl]acetamide
CID 176928038
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118395806
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide
CID 120565087

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 164615346) is N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCN3CCc4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is FZVUBEUZBYPQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-2-32(30,31)24-13-9-21(10-14-24)19-26(29)27-23-11-7-20(8-12-23)15-17-28-18-16-22-5-3-4-6-25(22)28/h3-14H,2,15-19H2,1H3,(H,27,29).
What are the key properties of N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 448.59 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dihydroindol-1-yl)ethyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 164615346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).