N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide

C15H21FN2O3S — CID 119937858

IUPACN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c16-11-1-3-14(4-2-11)21-9-13(19)8-18-15(20)7-12-10-22-6-5-17-12/h1-4,12-13,17,19H,5-10H2,(H,18,20)
InChIKeyRNBDLIJWIMFYBV-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.78
Rot. Bonds7

About N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937858) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937858
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c16-11-1-3-14(4-2-11)21-9-13(19)8-18-15(20)7-12-10-22-6-5-17-12/h1-4,12-13,17,19H,5-10H2,(H,18,20)
InChIKeyRNBDLIJWIMFYBV-UHFFFAOYSA-N
XLogP0.78
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938917
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939440
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938942
2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 106175845
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941203
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939438
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937835
N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 114163687
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
2-thiomorpholin-3-yl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119937740
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide (CID 119937858) is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is RNBDLIJWIMFYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c16-11-1-3-14(4-2-11)21-9-13(19)8-18-15(20)7-12-10-22-6-5-17-12/h1-4,12-13,17,19H,5-10H2,(H,18,20).
What are the key properties of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 328.41 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).