N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide

C21H24ClN3O4S — CID 164596506

IUPACN-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1COC1CC2CC1CN2
InChIInChI=1S/C21H24ClN3O4S/c22-18-4-2-1-3-13(18)8-21(26)25-16-6-5-14(20(10-16)30(23,27)28)12-29-19-9-17-7-15(19)11-24-17/h1-6,10,15,17,19,24H,7-9,11-12H2,(H,25,26)(H2,23,27,28)
InChIKeyFMCOFEVNSTZMSR-UHFFFAOYSA-N
MW449.96 g/mol
LogP2.44
Rot. Bonds7

About N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide

N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide (PubChem CID 164596506) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
PubChem CID164596506
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC NameN-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1COC1CC2CC1CN2
InChIInChI=1S/C21H24ClN3O4S/c22-18-4-2-1-3-13(18)8-21(26)25-16-6-5-14(20(10-16)30(23,27)28)12-29-19-9-17-7-15(19)11-24-17/h1-6,10,15,17,19,24H,7-9,11-12H2,(H,25,26)(H2,23,27,28)
InChIKeyFMCOFEVNSTZMSR-UHFFFAOYSA-N
XLogP2.44
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide (CID 164596506) is N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1COC1CC2CC1CN2.
What is the InChIKey of N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is FMCOFEVNSTZMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c22-18-4-2-1-3-13(18)8-21(26)25-16-6-5-14(20(10-16)30(23,27)28)12-29-19-9-17-7-15(19)11-24-17/h1-6,10,15,17,19,24H,7-9,11-12H2,(H,25,26)(H2,23,27,28).
What are the key properties of N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide?
N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 449.96 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 164596506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).