N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide

C22H27N3O3S — CID 38748916

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCc3ccccc32)CC1
InChIInChI=1S/C22H27N3O3S/c1-2-29(27,28)24-14-11-18(12-15-24)22(26)23-19-8-4-6-10-21(19)25-16-13-17-7-3-5-9-20(17)25/h3-10,18H,2,11-16H2,1H3,(H,23,26)
InChIKeySKOQUTILGMYKAW-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 38748916) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID38748916
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCc3ccccc32)CC1
InChIInChI=1S/C22H27N3O3S/c1-2-29(27,28)24-14-11-18(12-15-24)22(26)23-19-8-4-6-10-21(19)25-16-13-17-7-3-5-9-20(17)25/h3-10,18H,2,11-16H2,1H3,(H,23,26)
InChIKeySKOQUTILGMYKAW-UHFFFAOYSA-N
XLogP3.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-[2-(2,3-dihydroindol-1-yl)phenyl]oxolane-3-carboxamide
CID 75921266
1-(4-chlorobenzoyl)-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperidine-4-carboxamide
CID 43066780
N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 53277973
1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 55764759
(2S)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-ethoxypropanamide
CID 95667067
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123
1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 55674924
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 28550703

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 38748916) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCc3ccccc32)CC1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is SKOQUTILGMYKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-2-29(27,28)24-14-11-18(12-15-24)22(26)23-19-8-4-6-10-21(19)25-16-13-17-7-3-5-9-20(17)25/h3-10,18H,2,11-16H2,1H3,(H,23,26).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 38748916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).