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

C16H21FN2O2S — CID 119940156

IUPACN-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C16H21FN2O2S/c17-14-8-11(4-5-15(14)21-13-2-1-3-13)19-16(20)9-12-10-22-7-6-18-12/h4-5,8,12-13,18H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyAEGBQVZIAQAPDM-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.79
Rot. Bonds5

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

N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119940156) has the molecular formula C16H21FN2O2S and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119940156
Molecular FormulaC16H21FN2O2S
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC NameN-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C16H21FN2O2S/c17-14-8-11(4-5-15(14)21-13-2-1-3-13)19-16(20)9-12-10-22-7-6-18-12/h4-5,8,12-13,18H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyAEGBQVZIAQAPDM-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 66422272
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119939619
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119941337
N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119936439
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936487
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide (CID 119940156) is N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc(OC2CCC2)c(F)c1.
What is the InChIKey of N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is AEGBQVZIAQAPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2S/c17-14-8-11(4-5-15(14)21-13-2-1-3-13)19-16(20)9-12-10-22-7-6-18-12/h4-5,8,12-13,18H,1-3,6-7,9-10H2,(H,19,20).
What are the key properties of N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 324.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).