N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide

C24H28N4O3S — CID 162743399

IUPACN-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
SMILESCO[C@@H]1CCN([C@@H](CNS(=O)(=O)c2ccc3cc[nH]c3c2)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C24H28N4O3S/c1-27-16-21(20-5-3-4-6-23(20)27)24(28-12-10-18(15-28)31-2)14-26-32(29,30)19-8-7-17-9-11-25-22(17)13-19/h3-9,11,13,16,18,24-26H,10,12,14-15H2,1-2H3/t18-,24+/m1/s1
InChIKeyXUYUBJNENSDSTA-KOSHJBKYSA-N
MW452.58 g/mol
LogP3.40
Rot. Bonds7

About N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide

N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide (PubChem CID 162743399) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
PubChem CID162743399
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
SMILESCO[C@@H]1CCN([C@@H](CNS(=O)(=O)c2ccc3cc[nH]c3c2)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C24H28N4O3S/c1-27-16-21(20-5-3-4-6-23(20)27)24(28-12-10-18(15-28)31-2)14-26-32(29,30)19-8-7-17-9-11-25-22(17)13-19/h3-9,11,13,16,18,24-26H,10,12,14-15H2,1-2H3/t18-,24+/m1/s1
InChIKeyXUYUBJNENSDSTA-KOSHJBKYSA-N
XLogP3.40
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxypyrrolidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 170161725
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-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 162743480
N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide
CID 170274125
N-(1H-indol-6-ylsulfanyl)-2-(3-methylazetidin-1-yl)-2-(1-methylindol-3-yl)ethanamine
CID 162743476
benzene;N-(1H-indol-6-ylsulfanyl)-2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 162743410
N-(cyanomethyl)-N-[2-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethyl]-1H-indole-6-sulfonamide
CID 162743412
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
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90490882
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 90535159
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide
CID 90490875

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The IUPAC name of N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide (CID 162743399) is N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The canonical SMILES for N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide is CO[C@@H]1CCN([C@@H](CNS(=O)(=O)c2ccc3cc[nH]c3c2)c2cn(C)c3ccccc23)C1.
What is the InChIKey of N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The InChIKey is XUYUBJNENSDSTA-KOSHJBKYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-27-16-21(20-5-3-4-6-23(20)27)24(28-12-10-18(15-28)31-2)14-26-32(29,30)19-8-7-17-9-11-25-22(17)13-19/h3-9,11,13,16,18,24-26H,10,12,14-15H2,1-2H3/t18-,24+/m1/s1.
What are the key properties of N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide has a molecular weight of 452.58 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(3R)-3-methoxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide is sourced from PubChem (CID 162743399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).