N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide

C20H25FN2O5S — CID 55932340

IUPACN-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1cc(S(=O)(=O)NCC)ccc1F
InChIInChI=1S/C20H25FN2O5S/c1-4-6-11-28-19-10-7-14(27-3)12-18(19)23-20(24)16-13-15(8-9-17(16)21)29(25,26)22-5-2/h7-10,12-13,22H,4-6,11H2,1-3H3,(H,23,24)
InChIKeyALBVQJRXXCQPFO-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.56
Rot. Bonds10

About N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide

N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide (PubChem CID 55932340) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide
PubChem CID55932340
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1cc(S(=O)(=O)NCC)ccc1F
InChIInChI=1S/C20H25FN2O5S/c1-4-6-11-28-19-10-7-14(27-3)12-18(19)23-20(24)16-13-15(8-9-17(16)21)29(25,26)22-5-2/h7-10,12-13,22H,4-6,11H2,1-3H3,(H,23,24)
InChIKeyALBVQJRXXCQPFO-UHFFFAOYSA-N
XLogP3.56
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide
CID 35363899
N-(2,5-dimethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4609696
5-(ethylsulfamoyl)-N-(2-fluorophenyl)-2-methoxybenzamide
CID 19257860
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 35366721
N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 87047072
5-(ethylsulfamoyl)-N-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxybenzamide
CID 142410527
N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
CID 4611034
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112999196
5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55913537

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide (CID 55932340) is N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide is CCCCOc1ccc(OC)cc1NC(=O)c1cc(S(=O)(=O)NCC)ccc1F.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is ALBVQJRXXCQPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-4-6-11-28-19-10-7-14(27-3)12-18(19)23-20(24)16-13-15(8-9-17(16)21)29(25,26)22-5-2/h7-10,12-13,22H,4-6,11H2,1-3H3,(H,23,24).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide?
N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 424.49 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 55932340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).