N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C20H28N2O5S — CID 42999583

IUPACN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC3CCCC(C2)C3=O)cc1
InChIInChI=1S/C20H28N2O5S/c1-13(12-27-2)22-28(25,26)18-8-6-17(7-9-18)21-20(24)16-10-14-4-3-5-15(11-16)19(14)23/h6-9,13-16,22H,3-5,10-12H2,1-2H3,(H,21,24)
InChIKeyDHLAVMPYYSPLSU-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.33
Rot. Bonds7

About N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 42999583) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID42999583
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC3CCCC(C2)C3=O)cc1
InChIInChI=1S/C20H28N2O5S/c1-13(12-27-2)22-28(25,26)18-8-6-17(7-9-18)21-20(24)16-10-14-4-3-5-15(11-16)19(14)23/h6-9,13-16,22H,3-5,10-12H2,1-2H3,(H,21,24)
InChIKeyDHLAVMPYYSPLSU-UHFFFAOYSA-N
XLogP2.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55360189
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43010945
N-[4-(azepan-1-ylsulfonyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46797295
(1R,5R)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802951
(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802950
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 47004794
(1S,5S)-N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50938320
1-(1,3-benzodioxol-5-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43060223
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16547474

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 42999583) is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC3CCCC(C2)C3=O)cc1.
What is the InChIKey of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is DHLAVMPYYSPLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S/c1-13(12-27-2)22-28(25,26)18-8-6-17(7-9-18)21-20(24)16-10-14-4-3-5-15(11-16)19(14)23/h6-9,13-16,22H,3-5,10-12H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 42999583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).