2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide

C23H26N2O3S — CID 16935293

IUPAC2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)C1CCCCC1
InChIInChI=1S/C23H26N2O3S/c1-24(18-10-4-2-5-11-18)23(26)17-25-16-22(20-14-8-9-15-21(20)25)29(27,28)19-12-6-3-7-13-19/h3,6-9,12-16,18H,2,4-5,10-11,17H2,1H3
InChIKeyKVBXZZYOSXSRCV-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.27
Rot. Bonds5

About 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide

2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 16935293) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID16935293
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)C1CCCCC1
InChIInChI=1S/C23H26N2O3S/c1-24(18-10-4-2-5-11-18)23(26)17-25-16-22(20-14-8-9-15-21(20)25)29(27,28)19-12-6-3-7-13-19/h3,6-9,12-16,18H,2,4-5,10-11,17H2,1H3
InChIKeyKVBXZZYOSXSRCV-UHFFFAOYSA-N
XLogP4.27
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16935299
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 20911230
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001
2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
CID 16935296
2-[3-(benzenesulfonyl)indol-1-yl]-N,N-dibenzylacetamide
CID 16841490
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
2-[3-(benzenesulfonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935305
N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935986
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 30560046
N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935507
1-(azepan-1-yl)-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]ethanone
CID 16935724
2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
CID 16935414

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide (CID 16935293) is 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)C1CCCCC1.
What is the InChIKey of 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is KVBXZZYOSXSRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-24(18-10-4-2-5-11-18)23(26)17-25-16-22(20-14-8-9-15-21(20)25)29(27,28)19-12-6-3-7-13-19/h3,6-9,12-16,18H,2,4-5,10-11,17H2,1H3.
What are the key properties of 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide?
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 410.54 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 16935293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).