2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride

C17H28ClN3O5S — CID 119677471

IUPAC2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C17H27N3O5S.ClH/c1-24-11-8-18-13-17(21)19-14-6-7-15(25-2)16(12-14)26(22,23)20-9-4-3-5-10-20;/h6-7,12,18H,3-5,8-11,13H2,1-2H3,(H,19,21);1H
InChIKeyJFEKCXWMEWATPZ-UHFFFAOYSA-N
MW421.95 g/mol
LogP1.47
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride

2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride (PubChem CID 119677471) has the molecular formula C17H28ClN3O5S and a molecular weight of 421.95 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
PubChem CID119677471
Molecular FormulaC17H28ClN3O5S
Molecular Weight421.95 g/mol
Exact Mass421.14
IUPAC Name2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C17H27N3O5S.ClH/c1-24-11-8-18-13-17(21)19-14-6-7-15(25-2)16(12-14)26(22,23)20-9-4-3-5-10-20;/h6-7,12,18H,3-5,8-11,13H2,1-2H3,(H,19,21);1H
InChIKeyJFEKCXWMEWATPZ-UHFFFAOYSA-N
XLogP1.47
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 51.47
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-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5024016
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide
CID 6212937
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4227752
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride (CID 119677471) is 2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride is COCCNCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The InChIKey is JFEKCXWMEWATPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S.ClH/c1-24-11-8-18-13-17(21)19-14-6-7-15(25-2)16(12-14)26(22,23)20-9-4-3-5-10-20;/h6-7,12,18H,3-5,8-11,13H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 1.47, 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-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119677471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).