N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide

C15H21FN2O2S — CID 66422032

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)CC1CSCCN1
InChIInChI=1S/C15H21FN2O2S/c1-10(13-7-11(16)3-4-14(13)20-2)18-15(19)8-12-9-21-6-5-17-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeySCCXICIHRLVKGP-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.11
Rot. Bonds5

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422032) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422032
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)CC1CSCCN1
InChIInChI=1S/C15H21FN2O2S/c1-10(13-7-11(16)3-4-14(13)20-2)18-15(19)8-12-9-21-6-5-17-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeySCCXICIHRLVKGP-UHFFFAOYSA-N
XLogP2.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935675
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937248
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936763
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937616
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride
CID 119935714
2-(1-aminocyclobutyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 79853728
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939242
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 66422032) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide is COc1ccc(F)cc1C(C)NC(=O)CC1CSCCN1.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is SCCXICIHRLVKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-10(13-7-11(16)3-4-14(13)20-2)18-15(19)8-12-9-21-6-5-17-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 312.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).