2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride

C16H26ClN3O5S — CID 119690162

IUPAC2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C16H25N3O5S.ClH/c1-23-9-6-17-13-16(20)18-12-14-2-4-15(5-3-14)25(21,22)19-7-10-24-11-8-19;/h2-5,17H,6-13H2,1H3,(H,18,20);1H
InChIKeyLXSWBJRCGPLGRK-UHFFFAOYSA-N
MW407.92 g/mol
LogP-0.02
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride (PubChem CID 119690162) has the molecular formula C16H26ClN3O5S and a molecular weight of 407.92 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride
PubChem CID119690162
Molecular FormulaC16H26ClN3O5S
Molecular Weight407.92 g/mol
Exact Mass407.13
IUPAC Name2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C16H25N3O5S.ClH/c1-23-9-6-17-13-16(20)18-12-14-2-4-15(5-3-14)25(21,22)19-7-10-24-11-8-19;/h2-5,17H,6-13H2,1H3,(H,18,20);1H
InChIKeyLXSWBJRCGPLGRK-UHFFFAOYSA-N
XLogP-0.02
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119706515
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24548452
N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119821890
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride (CID 119690162) is 2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride is COCCNCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride?
The InChIKey is LXSWBJRCGPLGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S.ClH/c1-23-9-6-17-13-16(20)18-12-14-2-4-15(5-3-14)25(21,22)19-7-10-24-11-8-19;/h2-5,17H,6-13H2,1H3,(H,18,20);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride has a molecular weight of 407.92 g/mol, XLogP of -0.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119690162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).