N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide

C12H14BrFN2OS — CID 115746725

IUPACN-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFN2OS/c13-10-5-8(1-2-11(10)14)16-12(17)6-9-7-18-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyZVMRNKKXCZFXPE-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.62
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide

N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 115746725) has the molecular formula C12H14BrFN2OS and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID115746725
Molecular FormulaC12H14BrFN2OS
Molecular Weight333.23 g/mol
Exact Mass332.00
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFN2OS/c13-10-5-8(1-2-11(10)14)16-12(17)6-9-7-18-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyZVMRNKKXCZFXPE-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 119940156
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 66422272
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-(2-bromo-5-iodophenyl)-2-thiomorpholin-3-ylacetamide
CID 114259879
2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936388

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide (CID 115746725) is N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is ZVMRNKKXCZFXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2OS/c13-10-5-8(1-2-11(10)14)16-12(17)6-9-7-18-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 333.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 115746725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).