2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide

C17H27N3O2S — CID 119870115

IUPAC2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1cccc(CN2CCSCC2)c1C
InChIInChI=1S/C17H27N3O2S/c1-14-15(13-20-7-10-23-11-8-20)4-3-5-16(14)19-17(21)12-18-6-9-22-2/h3-5,18H,6-13H2,1-2H3,(H,19,21)
InChIKeyREXQLEKGAVQPQQ-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.72
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide

2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 119870115) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
PubChem CID119870115
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1cccc(CN2CCSCC2)c1C
InChIInChI=1S/C17H27N3O2S/c1-14-15(13-20-7-10-23-11-8-20)4-3-5-16(14)19-17(21)12-18-6-9-22-2/h3-5,18H,6-13H2,1-2H3,(H,19,21)
InChIKeyREXQLEKGAVQPQQ-UHFFFAOYSA-N
XLogP1.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869930
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896
4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645765
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 49065284
2-(2-methylphenyl)sulfanyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 47086736
2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
CID 122146673
3-(2-ethoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 49008652
N-[4-[2-methyl-3-(thiomorpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 49008672
2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106
4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 119870105
2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 60604722

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide (CID 119870115) is 2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide is COCCNCC(=O)Nc1cccc(CN2CCSCC2)c1C.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is REXQLEKGAVQPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-14-15(13-20-7-10-23-11-8-20)4-3-5-16(14)19-17(21)12-18-6-9-22-2/h3-5,18H,6-13H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 337.49 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 119870115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).