N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide

C20H24N2O3S — CID 113142179

IUPACN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(C)c(N(CCC(=O)N2CCc3ccccc32)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O3S/c1-15-8-9-16(2)19(14-15)22(26(3,24)25)13-11-20(23)21-12-10-17-6-4-5-7-18(17)21/h4-9,14H,10-13H2,1-3H3
InChIKeySJSSBJLCWLRGBB-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.05
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide

N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide (PubChem CID 113142179) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide
PubChem CID113142179
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(C)c(N(CCC(=O)N2CCc3ccccc32)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O3S/c1-15-8-9-16(2)19(14-15)22(26(3,24)25)13-11-20(23)21-12-10-17-6-4-5-7-18(17)21/h4-9,14H,10-13H2,1-3H3
InChIKeySJSSBJLCWLRGBB-UHFFFAOYSA-N
XLogP3.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146382
N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113145428
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 113139023
N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143717
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113140860
N-(2,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142126
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-phenylethyl)methanesulfonamide
CID 113140199
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2357612
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 113139349
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 51343226

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide (CID 113142179) is N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide is Cc1ccc(C)c(N(CCC(=O)N2CCc3ccccc32)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide?
The InChIKey is SJSSBJLCWLRGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-8-9-16(2)19(14-15)22(26(3,24)25)13-11-20(23)21-12-10-17-6-4-5-7-18(17)21/h4-9,14H,10-13H2,1-3H3.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide?
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 113142179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).