4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide

C21H26N2O4S — CID 133178573

IUPAC4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H26N2O4S/c1-15-13-16-7-5-6-8-19(16)23(15)21(24)12-9-17-14-18(10-11-20(17)27-4)28(25,26)22(2)3/h5-8,10-11,14-15H,9,12-13H2,1-4H3
InChIKeyDDPRWEQQUKQKMX-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.86
Rot. Bonds6

About 4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide

4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 133178573) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID133178573
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H26N2O4S/c1-15-13-16-7-5-6-8-19(16)23(15)21(24)12-9-17-14-18(10-11-20(17)27-4)28(25,26)22(2)3/h5-8,10-11,14-15H,9,12-13H2,1-4H3
InChIKeyDDPRWEQQUKQKMX-UHFFFAOYSA-N
XLogP2.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 133199873
N,N,3-trimethyl-4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 133239000
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 7987425
3-(4-methoxy-3-methylphenyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100735493
3,4-dimethoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 133179743
4-methoxy-3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 43900251
3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049653
N-cyclohexyl-3,4-dimethoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179753
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9136491
5-chloro-2-methoxy-N-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125047772
3-chloro-N-cyclohexyl-4-methoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133178440
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8928761

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide (CID 133178573) is 4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is DDPRWEQQUKQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-13-16-7-5-6-8-19(16)23(15)21(24)12-9-17-14-18(10-11-20(17)27-4)28(25,26)22(2)3/h5-8,10-11,14-15H,9,12-13H2,1-4H3.
What are the key properties of 4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide?
4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 133178573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).