N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide

C24H33FN2O4S — CID 22176543

IUPACN-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1ccc(-c2ccc(C(C)(O)CNS(=O)(=O)C(C)C)cc2)cc1F
InChIInChI=1S/C24H33FN2O4S/c1-16(2)23(28)26-13-12-19-6-7-20(14-22(19)25)18-8-10-21(11-9-18)24(5,29)15-27-32(30,31)17(3)4/h6-11,14,16-17,27,29H,12-13,15H2,1-5H3,(H,26,28)
InChIKeyPOPYCJJQCRHOJT-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.34
Rot. Bonds10

About N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide

N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide (PubChem CID 22176543) has the molecular formula C24H33FN2O4S and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide
PubChem CID22176543
Molecular FormulaC24H33FN2O4S
Molecular Weight464.60 g/mol
Exact Mass464.21
IUPAC NameN-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1ccc(-c2ccc(C(C)(O)CNS(=O)(=O)C(C)C)cc2)cc1F
InChIInChI=1S/C24H33FN2O4S/c1-16(2)23(28)26-13-12-19-6-7-20(14-22(19)25)18-8-10-21(11-9-18)24(5,29)15-27-32(30,31)17(3)4/h6-11,14,16-17,27,29H,12-13,15H2,1-5H3,(H,26,28)
InChIKeyPOPYCJJQCRHOJT-UHFFFAOYSA-N
XLogP3.34
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 56765460
N-[(S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-mesyl-4-piperidinecarboxamide
CID 95379448
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl]3-(phenylsulfonyl)propionamide
CID 96351481
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfonylpropanamide
CID 53596851
1-methanesulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 71781986
3-(benzenesulfonyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781987
N-[2-[4-[4-[2-[2-(4-fluorophenyl)ethylsulfonylamino]ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide
CID 18713908
N-[2-[4-[4-[2-[(4-fluorophenyl)methylsulfonylamino]ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide
CID 18713919
N-[3-[4-(4-fluorophenyl)phenyl]-3-hydroxybutyl]propanamide
CID 20302165
N-[3-[4-(4-fluorophenyl)phenyl]-3-hydroxybutyl]butanamide
CID 20302297
N-[3-[4-(4-fluorophenyl)phenyl]-3-hydroxybutyl]-2-methylpropanamide
CID 20302658
N-[3-[4-(4-fluorophenyl)phenyl]-3-hydroxybutyl]acetamide
CID 20302813

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide (CID 22176543) is N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1ccc(-c2ccc(C(C)(O)CNS(=O)(=O)C(C)C)cc2)cc1F.
What is the InChIKey of N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide?
The InChIKey is POPYCJJQCRHOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O4S/c1-16(2)23(28)26-13-12-19-6-7-20(14-22(19)25)18-8-10-21(11-9-18)24(5,29)15-27-32(30,31)17(3)4/h6-11,14,16-17,27,29H,12-13,15H2,1-5H3,(H,26,28).
What are the key properties of N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide?
N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide has a molecular weight of 464.60 g/mol, XLogP of 3.34, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-fluoro-4-[4-[2-hydroxy-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 22176543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).