2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide

C19H21FN2OS2 — CID 49004814

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccccc1CN1CCSCC1
InChIInChI=1S/C19H21FN2OS2/c20-16-5-7-17(8-6-16)25-14-19(23)21-18-4-2-1-3-15(18)13-22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23)
InChIKeyBMFAUDXQANYWLV-UHFFFAOYSA-N
MW376.52 g/mol
LogP4.11
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 49004814) has the molecular formula C19H21FN2OS2 and a molecular weight of 376.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
PubChem CID49004814
Molecular FormulaC19H21FN2OS2
Molecular Weight376.52 g/mol
Exact Mass376.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccccc1CN1CCSCC1
InChIInChI=1S/C19H21FN2OS2/c20-16-5-7-17(8-6-16)25-14-19(23)21-18-4-2-1-3-15(18)13-22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23)
InChIKeyBMFAUDXQANYWLV-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35357969
4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869740
2-(2-methylphenyl)sulfanyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 47086736
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 56539073
4-(4-chlorophenyl)-4-oxo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 49057882
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 42000152
2-bromo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49005061
3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 51100289
N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410
2-(4-nitrophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 47086703
4-(4-nitroanilino)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 49057838

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide (CID 49004814) is 2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide is O=C(CSc1ccc(F)cc1)Nc1ccccc1CN1CCSCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is BMFAUDXQANYWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS2/c20-16-5-7-17(8-6-16)25-14-19(23)21-18-4-2-1-3-15(18)13-22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 376.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 49004814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).