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

C21H26N2O3S — CID 113142657

IUPACN-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1cccc(N(CCC(=O)N2c3ccccc3CC2C)S(C)(=O)=O)c1C
InChIInChI=1S/C21H26N2O3S/c1-15-8-7-11-19(17(15)3)22(27(4,25)26)13-12-21(24)23-16(2)14-18-9-5-6-10-20(18)23/h5-11,16H,12-14H2,1-4H3
InChIKeyQVVYDFJMCFBXMK-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.44
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113142657) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113142657
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCc1cccc(N(CCC(=O)N2c3ccccc3CC2C)S(C)(=O)=O)c1C
InChIInChI=1S/C21H26N2O3S/c1-15-8-7-11-19(17(15)3)22(27(4,25)26)13-12-21(24)23-16(2)14-18-9-5-6-10-20(18)23/h5-11,16H,12-14H2,1-4H3
InChIKeyQVVYDFJMCFBXMK-UHFFFAOYSA-N
XLogP3.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143849
N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142877
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(2,3-dimethylphenyl)methanesulfonamide
CID 113142578
N-(4-methoxyphenyl)-N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]methanesulfonamide
CID 100548871
N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139278
N-(2,3-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142610
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113139993
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
N-(2-methoxyethyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113117047
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113157883

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (CID 113142657) is N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is Cc1cccc(N(CCC(=O)N2c3ccccc3CC2C)S(C)(=O)=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is QVVYDFJMCFBXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-8-7-11-19(17(15)3)22(27(4,25)26)13-12-21(24)23-16(2)14-18-9-5-6-10-20(18)23/h5-11,16H,12-14H2,1-4H3.
What are the key properties of N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113142657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).