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

C20H21ClN2O3S — CID 16935764

IUPACN-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C20H21ClN2O3S/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)
InChIKeyORPJNYKPAITRMP-UHFFFAOYSA-N
MW404.92 g/mol
LogP4.04
Rot. Bonds4

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

N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16935764) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
PubChem CID16935764
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC NameN-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C20H21ClN2O3S/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)
InChIKeyORPJNYKPAITRMP-UHFFFAOYSA-N
XLogP4.04
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 30554059
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16935862
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-morpholin-4-ylacetamide
CID 16935813
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935809
1-(azepan-1-yl)-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]ethanone
CID 16935724
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide (CID 16935764) is N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide is CC(C)(C)NC(=O)Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is ORPJNYKPAITRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/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-chlorophenyl)sulfonylindol-1-yl]acetamide?
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 404.92 g/mol, XLogP of 4.04, 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-chlorophenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16935764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).