N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide

C20H28N2O4S — CID 128950643

IUPACN-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide
SMILESCC(NS(=O)(=O)c1ccc(NC(=O)C2CCOC2)cc1)C1CC2CCC1C2
InChIInChI=1S/C20H28N2O4S/c1-13(19-11-14-2-3-15(19)10-14)22-27(24,25)18-6-4-17(5-7-18)21-20(23)16-8-9-26-12-16/h4-7,13-16,19,22H,2-3,8-12H2,1H3,(H,21,23)
InChIKeyNHISSACUWCMSBA-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.76
Rot. Bonds6

About N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide

N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide (PubChem CID 128950643) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide
PubChem CID128950643
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide
SMILESCC(NS(=O)(=O)c1ccc(NC(=O)C2CCOC2)cc1)C1CC2CCC1C2
InChIInChI=1S/C20H28N2O4S/c1-13(19-11-14-2-3-15(19)10-14)22-27(24,25)18-6-4-17(5-7-18)21-20(23)16-8-9-26-12-16/h4-7,13-16,19,22H,2-3,8-12H2,1H3,(H,21,23)
InChIKeyNHISSACUWCMSBA-UHFFFAOYSA-N
XLogP2.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-N-[4-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 124838412
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylsulfanylpropanamide
CID 43077721
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98606587
N-[4-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-methylbenzamide
CID 129376384
4-[[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]carbamoyl]benzoic acid
CID 129376889
N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3,5-dimethylbenzamide
CID 98402946
N-[4-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 98606904
N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 98402973
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 129376398
3-acetamido-N-[4-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98444087

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide (CID 128950643) is N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide is CC(NS(=O)(=O)c1ccc(NC(=O)C2CCOC2)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide?
The InChIKey is NHISSACUWCMSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-13(19-11-14-2-3-15(19)10-14)22-27(24,25)18-6-4-17(5-7-18)21-20(23)16-8-9-26-12-16/h4-7,13-16,19,22H,2-3,8-12H2,1H3,(H,21,23).
What are the key properties of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide?
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 128950643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).