N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide

C19H20FN3O4S — CID 49182836

IUPACN-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccc2OC)ccc1F
InChIInChI=1S/C19H20FN3O4S/c1-4-23(5-2)28(25,26)18-11-14(7-8-15(18)20)19(24)22-16-10-13(12-21)6-9-17(16)27-3/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyVAGPLOJJCTYRFY-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.99
Rot. Bonds7

About N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide

N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide (PubChem CID 49182836) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
PubChem CID49182836
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccc2OC)ccc1F
InChIInChI=1S/C19H20FN3O4S/c1-4-23(5-2)28(25,26)18-11-14(7-8-15(18)20)19(24)22-16-10-13(12-21)6-9-17(16)27-3/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyVAGPLOJJCTYRFY-UHFFFAOYSA-N
XLogP2.99
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157170
(4-cyanophenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530024
N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26243070
N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 52707592
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55336598
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750655
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55905942
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide (CID 49182836) is N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccc2OC)ccc1F.
What is the InChIKey of N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The InChIKey is VAGPLOJJCTYRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c1-4-23(5-2)28(25,26)18-11-14(7-8-15(18)20)19(24)22-16-10-13(12-21)6-9-17(16)27-3/h6-11H,4-5H2,1-3H3,(H,22,24).
What are the key properties of N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide has a molecular weight of 405.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 49182836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).