2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide

C14H21FN2O4S — CID 119956183

IUPAC2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C14H21FN2O4S/c1-17(14(18)13(16)7-10-22(2,19)20)8-9-21-12-5-3-11(15)4-6-12/h3-6,13H,7-10,16H2,1-2H3
InChIKeyWRKSYAYNDZXZNR-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.42
Rot. Bonds8

About 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide

2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide (PubChem CID 119956183) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
PubChem CID119956183
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Name2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C14H21FN2O4S/c1-17(14(18)13(16)7-10-22(2,19)20)8-9-21-12-5-3-11(15)4-6-12/h3-6,13H,7-10,16H2,1-2H3
InChIKeyWRKSYAYNDZXZNR-UHFFFAOYSA-N
XLogP0.42
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
CID 119956686
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274352
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 116676225
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide (CID 119956183) is 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide is CN(CCOc1ccc(F)cc1)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide?
The InChIKey is WRKSYAYNDZXZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-17(14(18)13(16)7-10-22(2,19)20)8-9-21-12-5-3-11(15)4-6-12/h3-6,13H,7-10,16H2,1-2H3.
What are the key properties of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide?
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide has a molecular weight of 332.40 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 119956183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).