N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide

C13H18FNO4S — CID 167798570

IUPACN-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide
SMILESCOCC(C)(C)C(=O)NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H18FNO4S/c1-13(2,9-19-3)12(16)15-20(17,18)8-10-5-4-6-11(14)7-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyUMUQSTOXSJHHJF-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.44
Rot. Bonds6

About N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide

N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide (PubChem CID 167798570) has the molecular formula C13H18FNO4S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide
PubChem CID167798570
Molecular FormulaC13H18FNO4S
Molecular Weight303.36 g/mol
Exact Mass303.09
IUPAC NameN-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide
SMILESCOCC(C)(C)C(=O)NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H18FNO4S/c1-13(2,9-19-3)12(16)15-20(17,18)8-10-5-4-6-11(14)7-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyUMUQSTOXSJHHJF-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
CID 56724259
N-benzylsulfonyl-2,2-dimethylbutanamide
CID 174337929
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
CID 119975492
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717949
N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide
CID 141198076
1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
CID 119964790
3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79626955
N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 167853183
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
1-[(3-fluorophenyl)methylsulfonylamino]-3-methoxycyclobutane-1-carboxylic acid
CID 166266425
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide?
The IUPAC name of N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide (CID 167798570) is N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide is COCC(C)(C)C(=O)NS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide?
The InChIKey is UMUQSTOXSJHHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-13(2,9-19-3)12(16)15-20(17,18)8-10-5-4-6-11(14)7-10/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide?
N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide has a molecular weight of 303.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 167798570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).