N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide

C20H28N2O4S — CID 55658606

IUPACN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC2(N3CCOCC3)CCSC2)cc1
InChIInChI=1S/C20H28N2O4S/c1-2-18(23)16-3-5-17(6-4-16)26-13-19(24)21-14-20(7-12-27-15-20)22-8-10-25-11-9-22/h3-6H,2,7-15H2,1H3,(H,21,24)
InChIKeyYCGRHGMOAWPXSV-UHFFFAOYSA-N
MW392.52 g/mol
LogP1.98
Rot. Bonds8

About N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 55658606) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID55658606
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC2(N3CCOCC3)CCSC2)cc1
InChIInChI=1S/C20H28N2O4S/c1-2-18(23)16-3-5-17(6-4-16)26-13-19(24)21-14-20(7-12-27-15-20)22-8-10-25-11-9-22/h3-6H,2,7-15H2,1H3,(H,21,24)
InChIKeyYCGRHGMOAWPXSV-UHFFFAOYSA-N
XLogP1.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 47056038
2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 55658478
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
1-(3,5-dimethoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696410
3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
CID 119862806
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 119862791
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 51207835
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360

Frequently Asked Questions

What is the IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide (CID 55658606) is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCC2(N3CCOCC3)CCSC2)cc1.
What is the InChIKey of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is YCGRHGMOAWPXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-2-18(23)16-3-5-17(6-4-16)26-13-19(24)21-14-20(7-12-27-15-20)22-8-10-25-11-9-22/h3-6H,2,7-15H2,1H3,(H,21,24).
What are the key properties of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide?
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 392.52 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 55658606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).