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

C20H22N2O4S — CID 113145428

IUPACN-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCC(=O)c1ccc(N(CCC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-15(23)16-7-9-18(10-8-16)22(27(2,25)26)14-12-20(24)21-13-11-17-5-3-4-6-19(17)21/h3-10H,11-14H2,1-2H3
InChIKeyRGDMUUZTLOQUJG-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.63
Rot. Bonds6

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

N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113145428) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113145428
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCC(=O)c1ccc(N(CCC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-15(23)16-7-9-18(10-8-16)22(27(2,25)26)14-12-20(24)21-13-11-17-5-3-4-6-19(17)21/h3-10H,11-14H2,1-2H3
InChIKeyRGDMUUZTLOQUJG-UHFFFAOYSA-N
XLogP2.63
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide
CID 113142179
4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 30273158
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113140860
N-(2,4-difluorophenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146382
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-phenylethyl)methanesulfonamide
CID 113140199
N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143717
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 113139023
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 113139349
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113122513
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2357612

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (CID 113145428) is N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is CC(=O)c1ccc(N(CCC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is RGDMUUZTLOQUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15(23)16-7-9-18(10-8-16)22(27(2,25)26)14-12-20(24)21-13-11-17-5-3-4-6-19(17)21/h3-10H,11-14H2,1-2H3.
What are the key properties of N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113145428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).