N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C19H23ClN2O3S — CID 119935799

IUPACN-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1Oc1ccc(NC(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C19H22N2O3S.ClH/c1-23-17-4-2-3-5-18(17)24-16-8-6-14(7-9-16)21-19(22)12-15-13-25-11-10-20-15;/h2-9,15,20H,10-13H2,1H3,(H,21,22);1H
InChIKeyPIHPQOIIETUTKW-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.94
Rot. Bonds6

About N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935799) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935799
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1Oc1ccc(NC(=O)CC2CSCCN2)cc1.Cl
InChIInChI=1S/C19H22N2O3S.ClH/c1-23-17-4-2-3-5-18(17)24-16-8-6-14(7-9-16)21-19(22)12-15-13-25-11-10-20-15;/h2-9,15,20H,10-13H2,1H3,(H,21,22);1H
InChIKeyPIHPQOIIETUTKW-UHFFFAOYSA-N
XLogP3.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941281
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941203
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941201

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935799) is N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccccc1Oc1ccc(NC(=O)CC2CSCCN2)cc1.Cl.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is PIHPQOIIETUTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S.ClH/c1-23-17-4-2-3-5-18(17)24-16-8-6-14(7-9-16)21-19(22)12-15-13-25-11-10-20-15;/h2-9,15,20H,10-13H2,1H3,(H,21,22);1H.
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 394.92 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).