N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

C24H33N3O2S — CID 90490919

IUPACN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c(C)c1C
InChIInChI=1S/C24H33N3O2S/c1-15-16(2)18(4)24(19(5)17(15)3)30(28,29)25-13-23(26(6)7)21-14-27(8)22-12-10-9-11-20(21)22/h9-12,14,23,25H,13H2,1-8H3
InChIKeyLZTFSEQUZKESJN-UHFFFAOYSA-N
MW427.61 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 90490919) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID90490919
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c(C)c1C
InChIInChI=1S/C24H33N3O2S/c1-15-16(2)18(4)24(19(5)17(15)3)30(28,29)25-13-23(26(6)7)21-14-27(8)22-12-10-9-11-20(21)22/h9-12,14,23,25H,13H2,1-8H3
InChIKeyLZTFSEQUZKESJN-UHFFFAOYSA-N
XLogP4.30
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90490882
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide
CID 90490875
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 90490899
methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate
CID 71796934
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 90490886
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 71780339
2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
CID 116907436
2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol
CID 116908811
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
CID 90490718
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 90535155
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 90490919) is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c(C)c1C.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is LZTFSEQUZKESJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-15-16(2)18(4)24(19(5)17(15)3)30(28,29)25-13-23(26(6)7)21-14-27(8)22-12-10-9-11-20(21)22/h9-12,14,23,25H,13H2,1-8H3.
What are the key properties of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 427.61 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 90490919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).