N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide

C24H31N3O3S — CID 43926350

IUPACN,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(CN2CCCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)C2)cc1
InChIInChI=1S/C24H31N3O3S/c1-18-6-8-19(9-7-18)16-26-13-4-5-21(17-26)24(28)27-14-12-20-15-22(10-11-23(20)27)31(29,30)25(2)3/h6-11,15,21H,4-5,12-14,16-17H2,1-3H3
InChIKeyIECSNKGNRBHSAB-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.05
Rot. Bonds5

About N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide

N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 43926350) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID43926350
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(CN2CCCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)C2)cc1
InChIInChI=1S/C24H31N3O3S/c1-18-6-8-19(9-7-18)16-26-13-4-5-21(17-26)24(28)27-14-12-20-15-22(10-11-23(20)27)31(29,30)25(2)3/h6-11,15,21H,4-5,12-14,16-17H2,1-3H3
InChIKeyIECSNKGNRBHSAB-UHFFFAOYSA-N
XLogP3.05
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 95118968
1-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43934711
1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 133168267
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926284
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769945
1-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 38107052
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
CID 24736898
(5-methyl-2,3-dihydroindol-1-yl)-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 166197392
N,N-dimethyl-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
CID 37349622

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide (CID 43926350) is N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide is Cc1ccc(CN2CCCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)C2)cc1.
What is the InChIKey of N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is IECSNKGNRBHSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18-6-8-19(9-7-18)16-26-13-4-5-21(17-26)24(28)27-14-12-20-15-22(10-11-23(20)27)31(29,30)25(2)3/h6-11,15,21H,4-5,12-14,16-17H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide?
N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 441.60 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43926350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).