5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide

C20H25FN2O3S2 — CID 38766346

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCCSc2ccccc2)c1
InChIInChI=1S/C20H25FN2O3S2/c1-3-23(4-2)28(25,26)17-11-12-19(21)18(15-17)20(24)22-13-8-14-27-16-9-6-5-7-10-16/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,22,24)
InChIKeyMCJIKELCXYUTPK-UHFFFAOYSA-N
MW424.56 g/mol
LogP3.77
Rot. Bonds10

About 5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide

5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide (PubChem CID 38766346) has the molecular formula C20H25FN2O3S2 and a molecular weight of 424.56 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide
PubChem CID38766346
Molecular FormulaC20H25FN2O3S2
Molecular Weight424.56 g/mol
Exact Mass424.13
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCCSc2ccccc2)c1
InChIInChI=1S/C20H25FN2O3S2/c1-3-23(4-2)28(25,26)17-11-12-19(21)18(15-17)20(24)22-13-8-14-27-16-9-6-5-7-10-16/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,22,24)
InChIKeyMCJIKELCXYUTPK-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 53.77
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

2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 27828585
5-(diethylsulfamoyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methylbenzamide
CID 26635620
2-fluoro-5-nitro-N-(3-phenylsulfanylpropyl)benzamide
CID 23152090
4-(diethylsulfamoyl)-1-methyl-N-(3-phenylsulfanylpropyl)pyrrole-2-carboxamide
CID 38570369
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-phenylsulfanylpropyl)prop-2-enamide
CID 26352530
2-chloro-5-methylsulfonyl-N-(3-phenylsulfanylpropyl)benzamide
CID 32577044
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
CID 34446965
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
5-(diethylsulfamoyl)-2-fluoro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 46424060
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide (CID 38766346) is 5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCCSc2ccccc2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide?
The InChIKey is MCJIKELCXYUTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S2/c1-3-23(4-2)28(25,26)17-11-12-19(21)18(15-17)20(24)22-13-8-14-27-16-9-6-5-7-10-16/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,22,24).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide has a molecular weight of 424.56 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide is sourced from PubChem (CID 38766346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).