N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide

C20H24N2O2S — CID 119939161

IUPACN-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccccc1COc1cccc(NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C20H24N2O2S/c1-15-5-2-3-6-16(15)13-24-19-8-4-7-17(11-19)22-20(23)12-18-14-25-10-9-21-18/h2-8,11,18,21H,9-10,12-14H2,1H3,(H,22,23)
InChIKeyUCMOGTYPMYNAPZ-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.61
Rot. Bonds6

About N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide

N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119939161) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119939161
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccccc1COc1cccc(NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C20H24N2O2S/c1-15-5-2-3-6-16(15)13-24-19-8-4-7-17(11-19)22-20(23)12-18-14-25-10-9-21-18/h2-8,11,18,21H,9-10,12-14H2,1H3,(H,22,23)
InChIKeyUCMOGTYPMYNAPZ-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939106
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941065
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936406
N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936409
2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936766
N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942250

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide (CID 119939161) is N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide is Cc1ccccc1COc1cccc(NC(=O)CC2CSCCN2)c1.
What is the InChIKey of N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is UCMOGTYPMYNAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-5-2-3-6-16(15)13-24-19-8-4-7-17(11-19)22-20(23)12-18-14-25-10-9-21-18/h2-8,11,18,21H,9-10,12-14H2,1H3,(H,22,23).
What are the key properties of N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide?
N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 356.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).