N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide

C20H21FN2O3S — CID 16935963

IUPACN-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H21FN2O3S/c1-20(2,3)22-19(24)13-23-12-18(16-6-4-5-7-17(16)23)27(25,26)15-10-8-14(21)9-11-15/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyWCEYYPQQLKHRLN-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.53
Rot. Bonds4

About N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide

N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16935963) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
PubChem CID16935963
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H21FN2O3S/c1-20(2,3)22-19(24)13-23-12-18(16-6-4-5-7-17(16)23)27(25,26)15-10-8-14(21)9-11-15/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyWCEYYPQQLKHRLN-UHFFFAOYSA-N
XLogP3.53
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935986
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936051
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935925
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
CID 16935414
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136959

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (CID 16935963) is N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is CC(C)(C)NC(=O)Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is WCEYYPQQLKHRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-20(2,3)22-19(24)13-23-12-18(16-6-4-5-7-17(16)23)27(25,26)15-10-8-14(21)9-11-15/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 388.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16935963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).