N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide

C22H29FN2O5S — CID 46535117

IUPACN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C22H29FN2O5S/c1-4-25(5-2)31(27,28)19-13-14-21(29-6-3)20(16-19)24-22(26)8-7-15-30-18-11-9-17(23)10-12-18/h9-14,16H,4-8,15H2,1-3H3,(H,24,26)
InChIKeyNQYQOWSETQBVBC-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.05
Rot. Bonds12

About N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide (PubChem CID 46535117) has the molecular formula C22H29FN2O5S and a molecular weight of 452.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
PubChem CID46535117
Molecular FormulaC22H29FN2O5S
Molecular Weight452.55 g/mol
Exact Mass452.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C22H29FN2O5S/c1-4-25(5-2)31(27,28)19-13-14-21(29-6-3)20(16-19)24-22(26)8-7-15-30-18-11-9-17(23)10-12-18/h9-14,16H,4-8,15H2,1-3H3,(H,24,26)
InChIKeyNQYQOWSETQBVBC-UHFFFAOYSA-N
XLogP4.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide
CID 52866213
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 24509301
4-(4-chlorophenoxy)-N-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamothioyl]butanamide
CID 19188919
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143
N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide
CID 4794318
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 24509300
N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 19798448

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide (CID 46535117) is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide?
The InChIKey is NQYQOWSETQBVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O5S/c1-4-25(5-2)31(27,28)19-13-14-21(29-6-3)20(16-19)24-22(26)8-7-15-30-18-11-9-17(23)10-12-18/h9-14,16H,4-8,15H2,1-3H3,(H,24,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide?
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide has a molecular weight of 452.55 g/mol, XLogP of 4.05, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 46535117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).