methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride

C19H23ClN2O4S — CID 119940181

IUPACmethyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride
SMILESCOC(=O)COc1ccc(NC(=O)CC2CSCCN2)c2ccccc12.Cl
InChIInChI=1S/C19H22N2O4S.ClH/c1-24-19(23)11-25-17-7-6-16(14-4-2-3-5-15(14)17)21-18(22)10-13-12-26-9-8-20-13;/h2-7,13,20H,8-12H2,1H3,(H,21,22);1H
InChIKeyADPGMWGWCCGVNC-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.85
Rot. Bonds6

About methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride

methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride (PubChem CID 119940181) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride
PubChem CID119940181
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Namemethyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride
SMILESCOC(=O)COc1ccc(NC(=O)CC2CSCCN2)c2ccccc12.Cl
InChIInChI=1S/C19H22N2O4S.ClH/c1-24-19(23)11-25-17-7-6-16(14-4-2-3-5-15(14)17)21-18(22)10-13-12-26-9-8-20-13;/h2-7,13,20H,8-12H2,1H3,(H,21,22);1H
InChIKeyADPGMWGWCCGVNC-UHFFFAOYSA-N
XLogP2.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate
CID 119811908
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride
CID 119811923
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938692
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
methyl 3-(difluoromethoxy)-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119939096

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride?
The IUPAC name of methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride (CID 119940181) is methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride.
What is the SMILES notation for methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride?
The canonical SMILES for methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride is COC(=O)COc1ccc(NC(=O)CC2CSCCN2)c2ccccc12.Cl.
What is the InChIKey of methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride?
The InChIKey is ADPGMWGWCCGVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S.ClH/c1-24-19(23)11-25-17-7-6-16(14-4-2-3-5-15(14)17)21-18(22)10-13-12-26-9-8-20-13;/h2-7,13,20H,8-12H2,1H3,(H,21,22);1H.
What are the key properties of methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride?
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride has a molecular weight of 410.92 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride is sourced from PubChem (CID 119940181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).