N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide

C19H27FN2O3S — CID 110496304

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C19H27FN2O3S/c1-3-18(22-26(24,25)16-8-6-15(20)7-9-16)19(23)21-12(2)17-11-13-4-5-14(17)10-13/h6-9,12-14,17-18,22H,3-5,10-11H2,1-2H3,(H,21,23)
InChIKeyKYJBDYDNYQJZDP-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.82
Rot. Bonds7

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide (PubChem CID 110496304) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
PubChem CID110496304
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C19H27FN2O3S/c1-3-18(22-26(24,25)16-8-6-15(20)7-9-16)19(23)21-12(2)17-11-13-4-5-14(17)10-13/h6-9,12-14,17-18,22H,3-5,10-11H2,1-2H3,(H,21,23)
InChIKeyKYJBDYDNYQJZDP-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43009015
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide
CID 43007741
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylsulfanylpropanamide
CID 43077721
1-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 22108863
2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]hexanoic acid
CID 110496366

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide (CID 110496304) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The InChIKey is KYJBDYDNYQJZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-3-18(22-26(24,25)16-8-6-15(20)7-9-16)19(23)21-12(2)17-11-13-4-5-14(17)10-13/h6-9,12-14,17-18,22H,3-5,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide has a molecular weight of 382.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 110496304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).