N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide

C23H28N4O2S — CID 170274125

IUPACN-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide
SMILESCCCN(C)C(CNS(=O)(=O)c1ccc2cc[nH]c2c1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H28N4O2S/c1-4-13-26(2)23(20-16-27(3)22-8-6-5-7-19(20)22)15-25-30(28,29)18-10-9-17-11-12-24-21(17)14-18/h5-12,14,16,23-25H,4,13,15H2,1-3H3
InChIKeyUZTTXMOYAXQIBO-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.02
Rot. Bonds8

About N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide

N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide (PubChem CID 170274125) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide
PubChem CID170274125
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide
SMILESCCCN(C)C(CNS(=O)(=O)c1ccc2cc[nH]c2c1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H28N4O2S/c1-4-13-26(2)23(20-16-27(3)22-8-6-5-7-19(20)22)15-25-30(28,29)18-10-9-17-11-12-24-21(17)14-18/h5-12,14,16,23-25H,4,13,15H2,1-3H3
InChIKeyUZTTXMOYAXQIBO-UHFFFAOYSA-N
XLogP4.02
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 162743480
N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 170162701
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 167001565
N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 162743399
N-[2-(3-methoxypyrrolidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 170161725
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-ethoxy-3-fluorobenzenesulfonamide
CID 71780339
N-[2-anilino-2-(1-methylindol-3-yl)ethyl]-2-[4-[[[2-(1H-indol-6-ylsulfonylamino)-1-(1-methylindol-3-yl)ethyl]amino]methyl]phenyl]-1H-indole-6-sulfonamide
CID 162743393
methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate
CID 71796934
N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide
CID 167001344
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 90490919

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide?
The IUPAC name of N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide (CID 170274125) is N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide?
The canonical SMILES for N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide is CCCN(C)C(CNS(=O)(=O)c1ccc2cc[nH]c2c1)c1cn(C)c2ccccc12.
What is the InChIKey of N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide?
The InChIKey is UZTTXMOYAXQIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-4-13-26(2)23(20-16-27(3)22-8-6-5-7-19(20)22)15-25-30(28,29)18-10-9-17-11-12-24-21(17)14-18/h5-12,14,16,23-25H,4,13,15H2,1-3H3.
What are the key properties of N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide?
N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide has a molecular weight of 424.57 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide is sourced from PubChem (CID 170274125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).