3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide

C29H29F2N3O4S — CID 69034763

IUPAC3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NCC1C2CN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)CC12)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C29H29F2N3O4S/c30-22-6-1-19(2-7-22)20-3-8-23(9-4-20)39(36,37)34-17-25-24(26(25)18-34)16-32-29(35)21-5-10-28(27(31)15-21)33-11-13-38-14-12-33/h1-10,15,24-26H,11-14,16-18H2,(H,32,35)
InChIKeyCPYVJOMWMREZMU-UHFFFAOYSA-N
MW553.63 g/mol
LogP3.76
Rot. Bonds7

About 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide

3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide (PubChem CID 69034763) has the molecular formula C29H29F2N3O4S and a molecular weight of 553.63 g/mol. Its IUPAC name is 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
PubChem CID69034763
Molecular FormulaC29H29F2N3O4S
Molecular Weight553.63 g/mol
Exact Mass553.18
IUPAC Name3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NCC1C2CN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)CC12)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C29H29F2N3O4S/c30-22-6-1-19(2-7-22)20-3-8-23(9-4-20)39(36,37)34-17-25-24(26(25)18-34)16-32-29(35)21-5-10-28(27(31)15-21)33-11-13-38-14-12-33/h1-10,15,24-26H,11-14,16-18H2,(H,32,35)
InChIKeyCPYVJOMWMREZMU-UHFFFAOYSA-N
XLogP3.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.63
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[3-(4-chlorophenoxy)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-fluoro-4-morpholin-4-ylbenzamide
CID 69033982
3-fluoro-N-[[3-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylaniline
CID 69037810
3-fluoro-N-[[3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
CID 69034832
N-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[3-(4-phenylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]thiophene-2-carboxamide
CID 67302797
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
3-fluoro-N-[[3-[(4-fluorophenyl)methylsulfonyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylaniline
CID 69088627
N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
CID 111463405
3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 139007780
3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
CID 111107185
N-[[3-[3-(4-chlorophenoxy)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-fluoro-4-morpholin-4-ylaniline
CID 69033986
3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
CID 111463648
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide
CID 92671284

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide (CID 69034763) is 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide is O=C(NCC1C2CN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)CC12)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide?
The InChIKey is CPYVJOMWMREZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N3O4S/c30-22-6-1-19(2-7-22)20-3-8-23(9-4-20)39(36,37)34-17-25-24(26(25)18-34)16-32-29(35)21-5-10-28(27(31)15-21)33-11-13-38-14-12-33/h1-10,15,24-26H,11-14,16-18H2,(H,32,35).
What are the key properties of 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide?
3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide has a molecular weight of 553.63 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 69034763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).