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

C28H36N2O3S — CID 30554001

IUPAC2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NC1CCCCCCCCCCC1
InChIInChI=1S/C28H36N2O3S/c31-28(29-23-15-9-6-4-2-1-3-5-7-10-16-23)22-30-21-27(25-19-13-14-20-26(25)30)34(32,33)24-17-11-8-12-18-24/h8,11-14,17-21,23H,1-7,9-10,15-16,22H2,(H,29,31)
InChIKeyWBKXOZUHOAVJIM-UHFFFAOYSA-N
MW480.67 g/mol
LogP6.26
Rot. Bonds5

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

2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide (PubChem CID 30554001) has the molecular formula C28H36N2O3S and a molecular weight of 480.67 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
PubChem CID30554001
Molecular FormulaC28H36N2O3S
Molecular Weight480.67 g/mol
Exact Mass480.24
IUPAC Name2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NC1CCCCCCCCCCC1
InChIInChI=1S/C28H36N2O3S/c31-28(29-23-15-9-6-4-2-1-3-5-7-10-16-23)22-30-21-27(25-19-13-14-20-26(25)30)34(32,33)24-17-11-8-12-18-24/h8,11-14,17-21,23H,1-7,9-10,15-16,22H2,(H,29,31)
InChIKeyWBKXOZUHOAVJIM-UHFFFAOYSA-N
XLogP6.26
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.67
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935986
N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559488
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 16935293
2-(3-benzoylindol-1-yl)-N-cyclohexylacetamide
CID 2202973
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611
2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563389
2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
CID 16935414
2-[3-(benzenesulfonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935305
2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16935380
2-[3-(benzenesulfonyl)indol-1-yl]-N,N-dibenzylacetamide
CID 16841490

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide (CID 30554001) is 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide is O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NC1CCCCCCCCCCC1.
What is the InChIKey of 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide?
The InChIKey is WBKXOZUHOAVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O3S/c31-28(29-23-15-9-6-4-2-1-3-5-7-10-16-23)22-30-21-27(25-19-13-14-20-26(25)30)34(32,33)24-17-11-8-12-18-24/h8,11-14,17-21,23H,1-7,9-10,15-16,22H2,(H,29,31).
What are the key properties of 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide?
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide has a molecular weight of 480.67 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide is sourced from PubChem (CID 30554001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).