N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide

C24H22N2O3S — CID 16935583

IUPACN-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N2O3S/c1-18-11-13-20(14-12-18)30(28,29)23-16-26(22-10-6-5-9-21(22)23)17-24(27)25-15-19-7-3-2-4-8-19/h2-14,16H,15,17H2,1H3,(H,25,27)
InChIKeyWKHALBWZNSSTIF-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.10
Rot. Bonds6

About N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide

N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16935583) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
PubChem CID16935583
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N2O3S/c1-18-11-13-20(14-12-18)30(28,29)23-16-26(22-10-6-5-9-21(22)23)17-24(27)25-15-19-7-3-2-4-8-19/h2-14,16H,15,17H2,1H3,(H,25,27)
InChIKeyWKHALBWZNSSTIF-UHFFFAOYSA-N
XLogP4.10
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935594
2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935388
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20950215
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
CID 16935688
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935809
2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16935380
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16935690
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide (CID 16935583) is N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide is Cc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is WKHALBWZNSSTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-18-11-13-20(14-12-18)30(28,29)23-16-26(22-10-6-5-9-21(22)23)17-24(27)25-15-19-7-3-2-4-8-19/h2-14,16H,15,17H2,1H3,(H,25,27).
What are the key properties of N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16935583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).