2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide

C19H20FN3O4S2 — CID 2348060

IUPAC2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H20FN3O4S2/c1-3-23(4-2)29(25,26)15-9-10-17-16(11-15)22-19(27-17)28-12-18(24)21-14-7-5-13(20)6-8-14/h5-11H,3-4,12H2,1-2H3,(H,21,24)
InChIKeyGUHDOYDHZGPXIZ-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.73
Rot. Bonds8

About 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide

2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 2348060) has the molecular formula C19H20FN3O4S2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID2348060
Molecular FormulaC19H20FN3O4S2
Molecular Weight437.52 g/mol
Exact Mass437.09
IUPAC Name2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H20FN3O4S2/c1-3-23(4-2)29(25,26)15-9-10-17-16(11-15)22-19(27-17)28-12-18(24)21-14-7-5-13(20)6-8-14/h5-11H,3-4,12H2,1-2H3,(H,21,24)
InChIKeyGUHDOYDHZGPXIZ-UHFFFAOYSA-N
XLogP3.73
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 16534664
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-iodophenyl)acetamide
CID 23903330
N-(4-chlorophenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 23799713
N-(2-chloro-4-methylphenyl)-2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 2340845
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2369682
N-cyclohexyl-2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 9322715
ethyl 4-[[2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2378985
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 23799347
N-(4-bromo-3-methylphenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 23737397
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 23797203
N,N-diethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3-benzoxazole-5-sulfonamide
CID 9322769
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2646333

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide (CID 2348060) is 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is GUHDOYDHZGPXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S2/c1-3-23(4-2)29(25,26)15-9-10-17-16(11-15)22-19(27-17)28-12-18(24)21-14-7-5-13(20)6-8-14/h5-11H,3-4,12H2,1-2H3,(H,21,24).
What are the key properties of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2348060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).