2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

C19H21FN2O4S2 — CID 16545861

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S2/c1-14-2-7-17(28(24,25)22-8-10-26-11-9-22)12-18(14)21-19(23)13-27-16-5-3-15(20)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyNJISJDRIIGZGRH-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.89
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 16545861) has the molecular formula C19H21FN2O4S2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID16545861
Molecular FormulaC19H21FN2O4S2
Molecular Weight424.52 g/mol
Exact Mass424.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4S2/c1-14-2-7-17(28(24,25)22-8-10-26-11-9-22)12-18(14)21-19(23)13-27-16-5-3-15(20)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyNJISJDRIIGZGRH-UHFFFAOYSA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 16545861) is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is NJISJDRIIGZGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S2/c1-14-2-7-17(28(24,25)22-8-10-26-11-9-22)12-18(14)21-19(23)13-27-16-5-3-15(20)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 424.52 g/mol, XLogP of 2.89, 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-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16545861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).