methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate

C15H20N2O4S — CID 119936369

IUPACmethyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C15H20N2O4S/c1-20-15(19)9-21-13-4-2-11(3-5-13)17-14(18)8-12-10-22-7-6-16-12/h2-5,12,16H,6-10H2,1H3,(H,17,18)
InChIKeySQSQTLPSRCHCJA-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.27
Rot. Bonds6

About methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate

methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate (PubChem CID 119936369) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
PubChem CID119936369
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Namemethyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C15H20N2O4S/c1-20-15(19)9-21-13-4-2-11(3-5-13)17-14(18)8-12-10-22-7-6-16-12/h2-5,12,16H,6-10H2,1H3,(H,17,18)
InChIKeySQSQTLPSRCHCJA-UHFFFAOYSA-N
XLogP1.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
CID 82906882
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939633
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936367
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride
CID 119940181
N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938973
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate (CID 119936369) is methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)CC2CSCCN2)cc1.
What is the InChIKey of methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate?
The InChIKey is SQSQTLPSRCHCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-20-15(19)9-21-13-4-2-11(3-5-13)17-14(18)8-12-10-22-7-6-16-12/h2-5,12,16H,6-10H2,1H3,(H,17,18).
What are the key properties of methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate?
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate has a molecular weight of 324.40 g/mol, XLogP of 1.27, 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]phenoxy]acetate is sourced from PubChem (CID 119936369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).