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4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide

C50H50N6O6S2 — CID 159327214

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc2c(C(=O)[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc2c(C(=O)[C@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c[nH]c2c1
InChIInChI=1S/2C25H25N3O3S/c2*1-17-7-12-21-22(16-28-23(21)15-17)25(29)24(19-5-3-2-4-6-19)27-14-13-18-8-10-20(11-9-18)32(26,30)31/h2*2-12,15-16,24,27-28H,13-14H2,1H3,(H2,26,30,31)/t2*24-/m10/s1
InChIKeyLENBWFLXLMLGRG-STCDVQFJSA-N
MW895.12 g/mol
LogP7.76
Rot. Bonds16

About 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide

4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide (PubChem CID 159327214) has the molecular formula C50H50N6O6S2 and a molecular weight of 895.12 g/mol. Its IUPAC name is 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
PubChem CID159327214
Molecular FormulaC50H50N6O6S2
Molecular Weight895.12 g/mol
Exact Mass894.32
IUPAC Name4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc2c(C(=O)[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc2c(C(=O)[C@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c[nH]c2c1
InChIInChI=1S/2C25H25N3O3S/c2*1-17-7-12-21-22(16-28-23(21)15-17)25(29)24(19-5-3-2-4-6-19)27-14-13-18-8-10-20(11-9-18)32(26,30)31/h2*2-12,15-16,24,27-28H,13-14H2,1H3,(H2,26,30,31)/t2*24-/m10/s1
InChIKeyLENBWFLXLMLGRG-STCDVQFJSA-N
XLogP7.76
TPSA210.10 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 57.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide (CID 159327214) is 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide is Cc1ccc2c(C(=O)[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc2c(C(=O)[C@H](NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)c[nH]c2c1.
What is the InChIKey of 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The InChIKey is LENBWFLXLMLGRG-STCDVQFJSA-N. The full InChI is InChI=1S/2C25H25N3O3S/c2*1-17-7-12-21-22(16-28-23(21)15-17)25(29)24(19-5-3-2-4-6-19)27-14-13-18-8-10-20(11-9-18)32(26,30)31/h2*2-12,15-16,24,27-28H,13-14H2,1H3,(H2,26,30,31)/t2*24-/m10/s1.
What are the key properties of 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide?
4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide has a molecular weight of 895.12 g/mol, XLogP of 7.76, 16 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1R)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide;4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 159327214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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