N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide

C20H21FN2O4S — CID 122697946

IUPACN-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2cc(F)c(O)cc12
InChIInChI=1S/C20H21FN2O4S/c1-12-4-6-15(7-5-12)28(26,27)23-13(2)16(8-9-22-14(3)24)17-10-20(25)18(21)11-19(17)23/h4-7,10-11,25H,8-9H2,1-3H3,(H,22,24)
InChIKeyFCRIFZYNELQAAV-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.02
Rot. Bonds5

About N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide

N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide (PubChem CID 122697946) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide
PubChem CID122697946
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC NameN-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2cc(F)c(O)cc12
InChIInChI=1S/C20H21FN2O4S/c1-12-4-6-15(7-5-12)28(26,27)23-13(2)16(8-9-22-14(3)24)17-10-20(25)18(21)11-19(17)23/h4-7,10-11,25H,8-9H2,1-3H3,(H,22,24)
InChIKeyFCRIFZYNELQAAV-UHFFFAOYSA-N
XLogP3.02
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzenesulfonyl-3-(2-dimethylamino-ethyl)-1H-indol-5-ol
CID 9841077
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-hydroxy-2-methylindol-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 130302575
N-[2-[4-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]ethyl]acetamide
CID 16124733
5-fluoro-2-methoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 1509855
US10544095, Example 35
CID 126574646
(Z)-3-(1-(4-amino-2-fluorobut-2-en-1-yl)-5-hydroxy-2-methyl-1H-indol-3-yl)-N,N-dimethylbenzenesulfonamide
CID 130302576
(Z)-3-(1-(4-amino-2-fluorobut-2-en-1-yl)-5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylbenzenesulfonamide
CID 130340619
tert-butyl 2-(2-benzenesulfonamido-2,3-dihydro-1H-inden-5-yl)-5-hydroxy-1H-indole-1-carboxylate
CID 25190817
2-[1-(benzenesulfonyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 70697445
(E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 155567198
1-(4-Methylphenyl)sulfonylindol-5-ol
CID 53242345
N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-4-(propan-2-yl)benzenesulfonamide
CID 1262751

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide (CID 122697946) is N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide is CC(=O)NCCc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2cc(F)c(O)cc12.
What is the InChIKey of N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide?
The InChIKey is FCRIFZYNELQAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-12-4-6-15(7-5-12)28(26,27)23-13(2)16(8-9-22-14(3)24)17-10-20(25)18(21)11-19(17)23/h4-7,10-11,25H,8-9H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide?
N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide has a molecular weight of 404.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]acetamide is sourced from PubChem (CID 122697946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).