2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C20H29N3O3S — CID 119672233

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H29N3O3S/c24-20(13-15-11-17-7-8-18(12-15)21-17)22-16-5-4-6-19(14-16)27(25,26)23-9-2-1-3-10-23/h4-6,14-15,17-18,21H,1-3,7-13H2,(H,22,24)
InChIKeyTWQKTTBPYMYLCT-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.72
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 119672233) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID119672233
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H29N3O3S/c24-20(13-15-11-17-7-8-18(12-15)21-17)22-16-5-4-6-19(14-16)27(25,26)23-9-2-1-3-10-23/h4-6,14-15,17-18,21H,1-3,7-13H2,(H,22,24)
InChIKeyTWQKTTBPYMYLCT-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfonylphenyl)acetamide;hydrochloride
CID 119694305
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate
CID 35776383
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclopentylacetate
CID 7722486
N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934970
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 119724522
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4810691

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 119672233) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CC1CC2CCC(C1)N2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is TWQKTTBPYMYLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c24-20(13-15-11-17-7-8-18(12-15)21-17)22-16-5-4-6-19(14-16)27(25,26)23-9-2-1-3-10-23/h4-6,14-15,17-18,21H,1-3,7-13H2,(H,22,24).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 391.54 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 119672233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).