2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

C26H33N3O4S — CID 68902806

IUPAC2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESNS(=O)(=O)c1ccc(CCN2CC3C(C2)C3NC(=O)C(O)(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C26H33N3O4S/c27-34(32,33)21-12-10-18(11-13-21)14-15-29-16-22-23(17-29)24(22)28-25(30)26(31,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-13,20,22-24,31H,4-5,8-9,14-17H2,(H,28,30)(H2,27,32,33)
InChIKeyZJJNBSGTPPHQNW-UHFFFAOYSA-N
MW483.63 g/mol
LogP2.00
Rot. Bonds8

About 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (PubChem CID 68902806) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
PubChem CID68902806
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESNS(=O)(=O)c1ccc(CCN2CC3C(C2)C3NC(=O)C(O)(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C26H33N3O4S/c27-34(32,33)21-12-10-18(11-13-21)14-15-29-16-22-23(17-29)24(22)28-25(30)26(31,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-13,20,22-24,31H,4-5,8-9,14-17H2,(H,28,30)(H2,27,32,33)
InChIKeyZJJNBSGTPPHQNW-UHFFFAOYSA-N
XLogP2.00
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-2-hydroxy-N-[3-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 69028279
N-[3-[2-(4-chlorophenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68901585
(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-N-[(1S,5R)-3-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 91930079
N-[3-[2-(1,3-benzodioxol-5-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 10321440
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
2-cyclopentyl-N-[(1R,5S)-3-heptyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 10476022
N-(3-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-phenylacetamide
CID 10067773
2-cyclopentyl-2-hydroxy-N-[(5R)-3-(2-phenoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901547
2-cyclopentyl-2-hydroxy-N-[3-(2-phenoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901545
2-cyclopentyl-N-[(1S,5R)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-hydroxy-2-phenylacetamide
CID 10095718
2-cyclopentyl-2-hydroxy-N-[(5R)-3-[(2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901588
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[(2,4,6-trimethylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 68904289

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The IUPAC name of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (CID 68902806) is 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is NS(=O)(=O)c1ccc(CCN2CC3C(C2)C3NC(=O)C(O)(c2ccccc2)C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The InChIKey is ZJJNBSGTPPHQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c27-34(32,33)21-12-10-18(11-13-21)14-15-29-16-22-23(17-29)24(22)28-25(30)26(31,20-8-4-5-9-20)19-6-2-1-3-7-19/h1-3,6-7,10-13,20,22-24,31H,4-5,8-9,14-17H2,(H,28,30)(H2,27,32,33).
What are the key properties of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide has a molecular weight of 483.63 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-2-phenyl-N-[3-[2-(4-sulfamoylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is sourced from PubChem (CID 68902806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).