N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C18H23Cl2N3O2S — CID 119941281

IUPACN-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCc1ccc(Oc2ccc(NC(=O)CC3CSCCN3)cn2)cc1.Cl.Cl
InChIInChI=1S/C18H21N3O2S.2ClH/c1-13-2-5-16(6-3-13)23-18-7-4-14(11-20-18)21-17(22)10-15-12-24-9-8-19-15;;/h2-7,11,15,19H,8-10,12H2,1H3,(H,21,22);2*1H
InChIKeyAJOXWXBZVFUVLN-UHFFFAOYSA-N
MW416.37 g/mol
LogP4.06
Rot. Bonds5

About N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119941281) has the molecular formula C18H23Cl2N3O2S and a molecular weight of 416.37 g/mol. Its IUPAC name is N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119941281
Molecular FormulaC18H23Cl2N3O2S
Molecular Weight416.37 g/mol
Exact Mass415.09
IUPAC NameN-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCc1ccc(Oc2ccc(NC(=O)CC3CSCCN3)cn2)cc1.Cl.Cl
InChIInChI=1S/C18H21N3O2S.2ClH/c1-13-2-5-16(6-3-13)23-18-7-4-14(11-20-18)21-17(22)10-15-12-24-9-8-19-15;;/h2-7,11,15,19H,8-10,12H2,1H3,(H,21,22);2*1H
InChIKeyAJOXWXBZVFUVLN-UHFFFAOYSA-N
XLogP4.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941203
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941201
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942250
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-(6-phenoxy-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 119849176
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938973

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119941281) is N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cc1ccc(Oc2ccc(NC(=O)CC3CSCCN3)cn2)cc1.Cl.Cl.
What is the InChIKey of N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is AJOXWXBZVFUVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.2ClH/c1-13-2-5-16(6-3-13)23-18-7-4-14(11-20-18)21-17(22)10-15-12-24-9-8-19-15;;/h2-7,11,15,19H,8-10,12H2,1H3,(H,21,22);2*1H.
What are the key properties of N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 416.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119941281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).