N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide

C15H21N3O4S — CID 119936558

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccc(NC(=O)CC2CSCCN2)cc1OCC(N)=O
InChIInChI=1S/C15H21N3O4S/c1-21-12-3-2-10(6-13(12)22-8-14(16)19)18-15(20)7-11-9-23-5-4-17-11/h2-3,6,11,17H,4-5,7-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyIDHFGEXUMKXTSE-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.59
Rot. Bonds7

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119936558) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119936558
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccc(NC(=O)CC2CSCCN2)cc1OCC(N)=O
InChIInChI=1S/C15H21N3O4S/c1-21-12-3-2-10(6-13(12)22-8-14(16)19)18-15(20)7-11-9-23-5-4-17-11/h2-3,6,11,17H,4-5,7-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyIDHFGEXUMKXTSE-UHFFFAOYSA-N
XLogP0.59
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119939619
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935877
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936487
2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119717528
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide (CID 119936558) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide is COc1ccc(NC(=O)CC2CSCCN2)cc1OCC(N)=O.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is IDHFGEXUMKXTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-21-12-3-2-10(6-13(12)22-8-14(16)19)18-15(20)7-11-9-23-5-4-17-11/h2-3,6,11,17H,4-5,7-9H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 339.42 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).