N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C21H30N2O4S — CID 46586044

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC3CCCC(C2)C3=O)ccc1C
InChIInChI=1S/C21H30N2O4S/c1-4-23(5-2)28(26,27)19-13-18(10-9-14(19)3)22-21(25)17-11-15-7-6-8-16(12-17)20(15)24/h9-10,13,15-17H,4-8,11-12H2,1-3H3,(H,22,25)
InChIKeyLSACHJIKSIQPCN-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.36
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 46586044) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID46586044
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC3CCCC(C2)C3=O)ccc1C
InChIInChI=1S/C21H30N2O4S/c1-4-23(5-2)28(26,27)19-13-18(10-9-14(19)3)22-21(25)17-11-15-7-6-8-16(12-17)20(15)24/h9-10,13,15-17H,4-8,11-12H2,1-3H3,(H,22,25)
InChIKeyLSACHJIKSIQPCN-UHFFFAOYSA-N
XLogP3.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095
N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
CID 119263634
N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide
CID 3667035
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43010945
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17496304
(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8920716
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 41293196
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 46586044) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC3CCCC(C2)C3=O)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is LSACHJIKSIQPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-4-23(5-2)28(26,27)19-13-18(10-9-14(19)3)22-21(25)17-11-15-7-6-8-16(12-17)20(15)24/h9-10,13,15-17H,4-8,11-12H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 46586044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).