2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride

C15H23ClN4O5S — CID 119713498

IUPAC2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.Cl
InChIInChI=1S/C15H22N4O5S.ClH/c1-24-8-6-16-10-14(20)18-12-3-2-4-13(9-12)25(22,23)19-7-5-17-15(21)11-19;/h2-4,9,16H,5-8,10-11H2,1H3,(H,17,21)(H,18,20);1H
InChIKeyKNBQEHYDIVXDEG-UHFFFAOYSA-N
MW406.89 g/mol
LogP-0.60
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride (PubChem CID 119713498) has the molecular formula C15H23ClN4O5S and a molecular weight of 406.89 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride
PubChem CID119713498
Molecular FormulaC15H23ClN4O5S
Molecular Weight406.89 g/mol
Exact Mass406.11
IUPAC Name2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.Cl
InChIInChI=1S/C15H22N4O5S.ClH/c1-24-8-6-16-10-14(20)18-12-3-2-4-13(9-12)25(22,23)19-7-5-17-15(21)11-19;/h2-4,9,16H,5-8,10-11H2,1H3,(H,17,21)(H,18,20);1H
InChIKeyKNBQEHYDIVXDEG-UHFFFAOYSA-N
XLogP-0.60
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride
CID 119713468
tert-butyl N-[4-oxo-4-[3-(3-oxopiperazin-1-yl)sulfonylanilino]butyl]carbamate
CID 55762447
(2S)-2-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]propanamide
CID 119283963
(2S)-2-amino-3,3-dimethyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]butanamide
CID 119713483
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540459
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55664739
2-methoxy-N-[3-methyl-1-oxo-1-[3-(3-oxopiperazin-1-yl)sulfonylanilino]butan-2-yl]benzamide
CID 55932008
2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 55762233
1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
CID 55924131
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 55762392
4-[3-(but-3-enylamino)phenyl]sulfonylpiperazin-2-one
CID 131963341

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride (CID 119713498) is 2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride is COCCNCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride?
The InChIKey is KNBQEHYDIVXDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S.ClH/c1-24-8-6-16-10-14(20)18-12-3-2-4-13(9-12)25(22,23)19-7-5-17-15(21)11-19;/h2-4,9,16H,5-8,10-11H2,1H3,(H,17,21)(H,18,20);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride has a molecular weight of 406.89 g/mol, XLogP of -0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 119713498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).