N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

C19H25Cl2N3O2S — CID 119942250

IUPACN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCc1cccc(Oc2ccc(NC(=O)CC3CSCCN3)cn2)c1C.Cl.Cl
InChIInChI=1S/C19H23N3O2S.2ClH/c1-13-4-3-5-17(14(13)2)24-19-7-6-15(11-21-19)22-18(23)10-16-12-25-9-8-20-16;;/h3-7,11,16,20H,8-10,12H2,1-2H3,(H,22,23);2*1H
InChIKeyKGUHLKVEMKKKMY-UHFFFAOYSA-N
MW430.40 g/mol
LogP4.37
Rot. Bonds5

About N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119942250) has the molecular formula C19H25Cl2N3O2S and a molecular weight of 430.40 g/mol. Its IUPAC name is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119942250
Molecular FormulaC19H25Cl2N3O2S
Molecular Weight430.40 g/mol
Exact Mass429.10
IUPAC NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCc1cccc(Oc2ccc(NC(=O)CC3CSCCN3)cn2)c1C.Cl.Cl
InChIInChI=1S/C19H23N3O2S.2ClH/c1-13-4-3-5-17(14(13)2)24-19-7-6-15(11-21-19)22-18(23)10-16-12-25-9-8-20-16;;/h3-7,11,16,20H,8-10,12H2,1-2H3,(H,22,23);2*1H
InChIKeyKGUHLKVEMKKKMY-UHFFFAOYSA-N
XLogP4.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941281
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941201
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941203
3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939161
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888485
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119888475
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942278
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119942250) is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cc1cccc(Oc2ccc(NC(=O)CC3CSCCN3)cn2)c1C.Cl.Cl.
What is the InChIKey of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is KGUHLKVEMKKKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.2ClH/c1-13-4-3-5-17(14(13)2)24-19-7-6-15(11-21-19)22-18(23)10-16-12-25-9-8-20-16;;/h3-7,11,16,20H,8-10,12H2,1-2H3,(H,22,23);2*1H.
What are the key properties of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 430.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119942250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).