(2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide

C15H23FN2O3S — CID 94081674

IUPAC(2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)N(C)C
InChIInChI=1S/C15H23FN2O3S/c1-11(2)9-14(15(19)18(3)4)17-22(20,21)10-12-5-7-13(16)8-6-12/h5-8,11,14,17H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyNQUTWEZBFGPIOP-CQSZACIVSA-N
MW330.43 g/mol
LogP1.75
Rot. Bonds7

About (2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide

(2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide (PubChem CID 94081674) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide
PubChem CID94081674
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name(2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)N(C)C
InChIInChI=1S/C15H23FN2O3S/c1-11(2)9-14(15(19)18(3)4)17-22(20,21)10-12-5-7-13(16)8-6-12/h5-8,11,14,17H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyNQUTWEZBFGPIOP-CQSZACIVSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide
CID 51080633
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
CID 82854872
N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 60571425
methyl 2-[(4-fluorophenyl)methylsulfonylamino]-3-methylbutanoate
CID 43410348
2-[(4-fluorophenyl)methylsulfonylamino]-4-methoxybutanoic acid
CID 62478270
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-1-(4-methylphenyl)methanesulfonamide
CID 110351444
2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675015
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of (2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide (CID 94081674) is (2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide is CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide?
The InChIKey is NQUTWEZBFGPIOP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-11(2)9-14(15(19)18(3)4)17-22(20,21)10-12-5-7-13(16)8-6-12/h5-8,11,14,17H,9-10H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide?
(2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide has a molecular weight of 330.43 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)methylsulfonylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 94081674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).