1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C22H28N2O3S — CID 31875222

IUPAC1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)c1c(C)cc(C)c(CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1C
InChIInChI=1S/C22H28N2O3S/c1-14-11-15(2)22(17(4)25)16(3)20(14)13-24-10-9-18-12-19(7-8-21(18)24)28(26,27)23(5)6/h7-8,11-12H,9-10,13H2,1-6H3
InChIKeyHODGICGPLHRQHR-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.63
Rot. Bonds5

About 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 31875222) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID31875222
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)c1c(C)cc(C)c(CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1C
InChIInChI=1S/C22H28N2O3S/c1-14-11-15(2)22(17(4)25)16(3)20(14)13-24-10-9-18-12-19(7-8-21(18)24)28(26,27)23(5)6/h7-8,11-12H,9-10,13H2,1-6H3
InChIKeyHODGICGPLHRQHR-UHFFFAOYSA-N
XLogP3.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26570254
1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 92647054
2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
CID 119922066
1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 31875157
N,N-dimethyl-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 31875101
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
CID 37349622
N,N-dimethyl-1-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 26569533
1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide
CID 34913173
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 26570251

Frequently Asked Questions

What is the IUPAC name of 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 31875222) is 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CC(=O)c1c(C)cc(C)c(CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1C.
What is the InChIKey of 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HODGICGPLHRQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-14-11-15(2)22(17(4)25)16(3)20(14)13-24-10-9-18-12-19(7-8-21(18)24)28(26,27)23(5)6/h7-8,11-12H,9-10,13H2,1-6H3.
What are the key properties of 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 400.54 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 31875222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).