2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C23H27N3O3S — CID 16935299

IUPAC2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C23H27N3O3S/c1-24-14-12-18(13-15-24)25(2)23(27)17-26-16-22(20-10-6-7-11-21(20)26)30(28,29)19-8-4-3-5-9-19/h3-11,16,18H,12-15,17H2,1-2H3
InChIKeyNTDAJDIPVOBKKQ-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.03
Rot. Bonds5

About 2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 16935299) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID16935299
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C23H27N3O3S/c1-24-14-12-18(13-15-24)25(2)23(27)17-26-16-22(20-10-6-7-11-21(20)26)30(28,29)19-8-4-3-5-9-19/h3-11,16,18H,12-15,17H2,1-2H3
InChIKeyNTDAJDIPVOBKKQ-UHFFFAOYSA-N
XLogP3.03
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 16935293
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 30560046
2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
CID 16935296
2-[3-(benzenesulfonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935305
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]-N-cyclododecylacetamide
CID 30554001
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 20911230
N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935507
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935925
3-(benzenesulfonyl)-1-(2-phenylethyl)indole
CID 122715418
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-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 16935299) is 2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)CC1.
What is the InChIKey of 2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is NTDAJDIPVOBKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-24-14-12-18(13-15-24)25(2)23(27)17-26-16-22(20-10-6-7-11-21(20)26)30(28,29)19-8-4-3-5-9-19/h3-11,16,18H,12-15,17H2,1-2H3.
What are the key properties of 2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 425.55 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 16935299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).