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

C17H24N2O3S — CID 124727496

IUPAC2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1O)NC[C@]1(N2CCOCC2)CCSC1
InChIInChI=1S/C17H24N2O3S/c20-15-4-2-1-3-14(15)11-16(21)18-12-17(5-10-23-13-17)19-6-8-22-9-7-19/h1-4,20H,5-13H2,(H,18,21)/t17-/m1/s1
InChIKeyDAAGXSUTNMTIFN-QGZVFWFLSA-N
MW336.46 g/mol
LogP1.26
Rot. Bonds5

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

2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide (PubChem CID 124727496) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
PubChem CID124727496
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1O)NC[C@]1(N2CCOCC2)CCSC1
InChIInChI=1S/C17H24N2O3S/c20-15-4-2-1-3-14(15)11-16(21)18-12-17(5-10-23-13-17)19-6-8-22-9-7-19/h1-4,20H,5-13H2,(H,18,21)/t17-/m1/s1
InChIKeyDAAGXSUTNMTIFN-QGZVFWFLSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide
CID 55658366
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 51125025
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 94202398
1-[(2-chlorophenyl)methyl]-2-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 111174292
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51092973
benzyl N-[4-[(3-morpholin-4-ylthiolan-3-yl)methylamino]-4-oxobutyl]carbamate
CID 55842494

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide (CID 124727496) is 2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide is O=C(Cc1ccccc1O)NC[C@]1(N2CCOCC2)CCSC1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide?
The InChIKey is DAAGXSUTNMTIFN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-15-4-2-1-3-14(15)11-16(21)18-12-17(5-10-23-13-17)19-6-8-22-9-7-19/h1-4,20H,5-13H2,(H,18,21)/t17-/m1/s1.
What are the key properties of 2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide?
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide is sourced from PubChem (CID 124727496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).