4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide

C20H24FNO4S — CID 60554783

IUPAC4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(=O)CCCOc2ccccc2F)c1C
InChIInChI=1S/C20H24FNO4S/c1-13-12-14(2)16(4)20(15(13)3)27(24,25)22-19(23)10-7-11-26-18-9-6-5-8-17(18)21/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,22,23)
InChIKeyMYGIPWIWWSHOLT-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.72
Rot. Bonds7

About 4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide

4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide (PubChem CID 60554783) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide
PubChem CID60554783
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(=O)CCCOc2ccccc2F)c1C
InChIInChI=1S/C20H24FNO4S/c1-13-12-14(2)16(4)20(15(13)3)27(24,25)22-19(23)10-7-11-26-18-9-6-5-8-17(18)21/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,22,23)
InChIKeyMYGIPWIWWSHOLT-UHFFFAOYSA-N
XLogP3.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide
CID 60552057
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 52714969
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842
4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
CID 138993042
4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 171130212
4-(2-fluorophenoxy)butan-2-one
CID 28948853
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(2-fluorophenoxy)acetamide
CID 9141447

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide (CID 60554783) is 4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide is Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)CCCOc2ccccc2F)c1C.
What is the InChIKey of 4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide?
The InChIKey is MYGIPWIWWSHOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-13-12-14(2)16(4)20(15(13)3)27(24,25)22-19(23)10-7-11-26-18-9-6-5-8-17(18)21/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,22,23).
What are the key properties of 4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide?
4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide has a molecular weight of 393.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-(2,3,5,6-tetramethylphenyl)sulfonylbutanamide is sourced from PubChem (CID 60554783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).