2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide

C15H19FN2O4S — CID 5193411

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CS(=O)CC(=O)Nc1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C15H19FN2O4S/c16-11-3-5-12(6-4-11)18-15(20)10-23(21)9-14(19)17-8-13-2-1-7-22-13/h3-6,13H,1-2,7-10H2,(H,17,19)(H,18,20)
InChIKeyVWXWMRVSUFYDRB-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.81
Rot. Bonds7

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 5193411) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID5193411
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CS(=O)CC(=O)Nc1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C15H19FN2O4S/c16-11-3-5-12(6-4-11)18-15(20)10-23(21)9-14(19)17-8-13-2-1-7-22-13/h3-6,13H,1-2,7-10H2,(H,17,19)(H,18,20)
InChIKeyVWXWMRVSUFYDRB-UHFFFAOYSA-N
XLogP0.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide (CID 5193411) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide is O=C(CS(=O)CC(=O)Nc1ccc(F)cc1)NCC1CCCO1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VWXWMRVSUFYDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c16-11-3-5-12(6-4-11)18-15(20)10-23(21)9-14(19)17-8-13-2-1-7-22-13/h3-6,13H,1-2,7-10H2,(H,17,19)(H,18,20).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 342.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 5193411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).