[(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate

C24H25ClF3N3O6S — CID 69457645

IUPAC[(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate
SMILESC[C@H](Cc1c[nH]c2c(OCC(=O)NS(C)(=O)=O)cccc12)NC[C@H](OC(=O)C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C24H25ClF3N3O6S/c1-14(29-12-20(37-23(33)24(26,27)28)15-5-3-6-17(25)10-15)9-16-11-30-22-18(16)7-4-8-19(22)36-13-21(32)31-38(2,34)35/h3-8,10-11,14,20,29-30H,9,12-13H2,1-2H3,(H,31,32)/t14-,20+/m1/s1
InChIKeyABLVSQAVLODEFU-VLIAUNLRSA-N
MW575.99 g/mol
LogP3.64
Rot. Bonds11

About [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate

[(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate (PubChem CID 69457645) has the molecular formula C24H25ClF3N3O6S and a molecular weight of 575.99 g/mol. Its IUPAC name is [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate
PubChem CID69457645
Molecular FormulaC24H25ClF3N3O6S
Molecular Weight575.99 g/mol
Exact Mass575.11
IUPAC Name[(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate
SMILESC[C@H](Cc1c[nH]c2c(OCC(=O)NS(C)(=O)=O)cccc12)NC[C@H](OC(=O)C(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C24H25ClF3N3O6S/c1-14(29-12-20(37-23(33)24(26,27)28)15-5-3-6-17(25)10-15)9-16-11-30-22-18(16)7-4-8-19(22)36-13-21(32)31-38(2,34)35/h3-8,10-11,14,20,29-30H,9,12-13H2,1-2H3,(H,31,32)/t14-,20+/m1/s1
InChIKeyABLVSQAVLODEFU-VLIAUNLRSA-N
XLogP3.64
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.99
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

ethyl 3-[[3-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-(2,2,2-trifluoroacetyl)oxyethyl]amino]propyl]-1H-indole-7-carbonyl]amino]propanoate
CID 69459303
[(1R)-1-[4-hydroxy-3-(methanesulfonamido)phenyl]-2-[[(2R)-1-[7-(piperidine-1-carbonyl)-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate
CID 69459215
(2,2,2-trifluoroacetyl) (2S)-2-[[3-[(2R)-2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-7-carbonyl]amino]-4-methylpentanoate
CID 87841933
3-[(2R)-2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-7-carboxylic acid
CID 69457737
[3-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 69459881
2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
CID 15605735
1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol
CID 11324939
N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide
CID 69459178
methyl 2-[[3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-6-yl]oxy]acetate
CID 11362991
(4-benzylpiperidin-1-yl)-[3-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]methanone
CID 69459138
(2S)-2-[[3-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]-2-methylbutanoic acid
CID 69458126
2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
CID 11189002

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate (CID 69457645) is [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate is C[C@H](Cc1c[nH]c2c(OCC(=O)NS(C)(=O)=O)cccc12)NC[C@H](OC(=O)C(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate?
The InChIKey is ABLVSQAVLODEFU-VLIAUNLRSA-N. The full InChI is InChI=1S/C24H25ClF3N3O6S/c1-14(29-12-20(37-23(33)24(26,27)28)15-5-3-6-17(25)10-15)9-16-11-30-22-18(16)7-4-8-19(22)36-13-21(32)31-38(2,34)35/h3-8,10-11,14,20,29-30H,9,12-13H2,1-2H3,(H,31,32)/t14-,20+/m1/s1.
What are the key properties of [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate?
[(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate has a molecular weight of 575.99 g/mol, XLogP of 3.64, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[7-[2-(methanesulfonamido)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 69457645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).