N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

C18H26FN3O3S — CID 119455910

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)NC1CC2CCC(C1)N2)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O3S/c1-22(26(24,25)17-8-4-13(19)5-9-17)10-2-3-18(23)21-16-11-14-6-7-15(12-16)20-14/h4-5,8-9,14-16,20H,2-3,6-7,10-12H2,1H3,(H,21,23)
InChIKeyLGMHHMFGVSKPKI-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.63
Rot. Bonds7

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (PubChem CID 119455910) has the molecular formula C18H26FN3O3S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
PubChem CID119455910
Molecular FormulaC18H26FN3O3S
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)NC1CC2CCC(C1)N2)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O3S/c1-22(26(24,25)17-8-4-13(19)5-9-17)10-2-3-18(23)21-16-11-14-6-7-15(12-16)20-14/h4-5,8-9,14-16,20H,2-3,6-7,10-12H2,1H3,(H,21,23)
InChIKeyLGMHHMFGVSKPKI-UHFFFAOYSA-N
XLogP1.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (CID 119455910) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is CN(CCCC(=O)NC1CC2CCC(C1)N2)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The InChIKey is LGMHHMFGVSKPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3S/c1-22(26(24,25)17-8-4-13(19)5-9-17)10-2-3-18(23)21-16-11-14-6-7-15(12-16)20-14/h4-5,8-9,14-16,20H,2-3,6-7,10-12H2,1H3,(H,21,23).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide has a molecular weight of 383.49 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is sourced from PubChem (CID 119455910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).