2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide

C15H22FNO5S — CID 55739528

IUPAC2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO5S/c1-12(15(18)17(8-10-21-2)9-11-22-3)23(19,20)14-6-4-13(16)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyBTNKHGICDCNKGS-UHFFFAOYSA-N
MW347.41 g/mol
LogP1.11
Rot. Bonds9

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

2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide (PubChem CID 55739528) has the molecular formula C15H22FNO5S and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide
PubChem CID55739528
Molecular FormulaC15H22FNO5S
Molecular Weight347.41 g/mol
Exact Mass347.12
IUPAC Name2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO5S/c1-12(15(18)17(8-10-21-2)9-11-22-3)23(19,20)14-6-4-13(16)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyBTNKHGICDCNKGS-UHFFFAOYSA-N
XLogP1.11
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
CID 95156763
3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 71857042
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
[4-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4619004
(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
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077
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-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene
CID 64716694
5-[(4-fluorophenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)-2-methylbenzamide
CID 43010418
[4-[[2-methoxyethyl(propanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4642457

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide (CID 55739528) is 2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide is COCCN(CCOC)C(=O)C(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide?
The InChIKey is BTNKHGICDCNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO5S/c1-12(15(18)17(8-10-21-2)9-11-22-3)23(19,20)14-6-4-13(16)5-7-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide?
2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide has a molecular weight of 347.41 g/mol, XLogP of 1.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)propanamide is sourced from PubChem (CID 55739528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).