N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide

C21H26N2O3S — CID 113142877

IUPACN-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCc1ccc(N(CCC(=O)N2c3ccccc3CC2C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-17-9-11-19(12-10-17)22(27(3,25)26)14-13-21(24)23-16(2)15-18-7-5-6-8-20(18)23/h5-12,16H,4,13-15H2,1-3H3
InChIKeyFJWCUSPYZNTRAM-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.38
Rot. Bonds6

About N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide

N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113142877) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113142877
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCc1ccc(N(CCC(=O)N2c3ccccc3CC2C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-17-9-11-19(12-10-17)22(27(3,25)26)14-13-21(24)23-16(2)15-18-7-5-6-8-20(18)23/h5-12,16H,4,13-15H2,1-3H3
InChIKeyFJWCUSPYZNTRAM-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143849
N-(4-methoxyphenyl)-N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]methanesulfonamide
CID 100548871
N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142657
N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-N-(2-methylphenyl)methanesulfonamide
CID 100628004
N-(2-fluorophenyl)-N-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]methanesulfonamide
CID 133162392
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide
CID 43900265
N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139278
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113139993
N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113131813
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-ethylbenzoate
CID 42962850
N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 124560578

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (CID 113142877) is N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is CCc1ccc(N(CCC(=O)N2c3ccccc3CC2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is FJWCUSPYZNTRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-17-9-11-19(12-10-17)22(27(3,25)26)14-13-21(24)23-16(2)15-18-7-5-6-8-20(18)23/h5-12,16H,4,13-15H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113142877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).