3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide

C16H24FNO5S — CID 71857042

IUPAC3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(CCOC)C(=O)C(C)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO5S/c1-13(16(19)18(8-10-22-2)9-11-23-3)12-24(20,21)15-6-4-14(17)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyVOJBKHLDXSWFNE-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.36
Rot. Bonds10

About 3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide

3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide (PubChem CID 71857042) has the molecular formula C16H24FNO5S and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide
PubChem CID71857042
Molecular FormulaC16H24FNO5S
Molecular Weight361.44 g/mol
Exact Mass361.14
IUPAC Name3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(CCOC)C(=O)C(C)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO5S/c1-13(16(19)18(8-10-22-2)9-11-23-3)12-24(20,21)15-6-4-14(17)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyVOJBKHLDXSWFNE-UHFFFAOYSA-N
XLogP1.36
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide
CID 55739528
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
CID 120886222
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene
CID 64716694
[4-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4619004
1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993090
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride
CID 119321215
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053214
(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
CID 95156763
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
1-(4-fluorophenyl)sulfonyl-3-methoxy-3-methylbutan-2-ol
CID 114228870

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide (CID 71857042) is 3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide is COCCN(CCOC)C(=O)C(C)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is VOJBKHLDXSWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO5S/c1-13(16(19)18(8-10-22-2)9-11-23-3)12-24(20,21)15-6-4-14(17)5-7-15/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide?
3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 361.44 g/mol, XLogP of 1.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 71857042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).