2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C18H19FN2O4S2 — CID 5036571

IUPAC2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19FN2O4S2/c19-14-4-6-16(7-5-14)26-13-18(22)20-15-2-1-3-17(12-15)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyPSKFKTUIUKBFEX-UHFFFAOYSA-N
MW410.49 g/mol
LogP2.58
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 5036571) has the molecular formula C18H19FN2O4S2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID5036571
Molecular FormulaC18H19FN2O4S2
Molecular Weight410.49 g/mol
Exact Mass410.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19FN2O4S2/c19-14-4-6-16(7-5-14)26-13-18(22)20-15-2-1-3-17(12-15)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyPSKFKTUIUKBFEX-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3365377
N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
1-(3-(3-Morpholinopropylsulfonyl)phenyl)-3-phenylurea
CID 24809976
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 847698
2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1006632
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 1209552
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677684
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2948127

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 5036571) is 2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CSc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is PSKFKTUIUKBFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S2/c19-14-4-6-16(7-5-14)26-13-18(22)20-15-2-1-3-17(12-15)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 410.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 5036571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).