2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide

C17H23ClN2O3S — CID 119725578

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3S/c18-13-1-5-16(6-2-13)24(22,23)8-7-19-17(21)11-12-9-14-3-4-15(10-12)20-14/h1-2,5-6,12,14-15,20H,3-4,7-11H2,(H,19,21)
InChIKeyXOUCKKFIJDXJMX-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.15
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide (PubChem CID 119725578) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide
PubChem CID119725578
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3S/c18-13-1-5-16(6-2-13)24(22,23)8-7-19-17(21)11-12-9-14-3-4-15(10-12)20-14/h1-2,5-6,12,14-15,20H,3-4,7-11H2,(H,19,21)
InChIKeyXOUCKKFIJDXJMX-UHFFFAOYSA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.15
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-(benzenesulfonyl)propyl]acetamide
CID 119755174
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
CID 79606940
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119804648
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772678
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 119752383
N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
CID 119290590
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride
CID 119703573
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 119706622
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide (CID 119725578) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide?
The InChIKey is XOUCKKFIJDXJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c18-13-1-5-16(6-2-13)24(22,23)8-7-19-17(21)11-12-9-14-3-4-15(10-12)20-14/h1-2,5-6,12,14-15,20H,3-4,7-11H2,(H,19,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide has a molecular weight of 370.90 g/mol, XLogP of 2.15, 6 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-[2-(4-chlorophenyl)sulfonylethyl]acetamide is sourced from PubChem (CID 119725578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).