2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride

C13H21ClN4O6S — CID 119752398

IUPAC2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C13H20N4O6S.ClH/c1-23-9-8-14-10-13(18)15-6-7-16-24(21,22)12-4-2-11(3-5-12)17(19)20;/h2-5,14,16H,6-10H2,1H3,(H,15,18);1H
InChIKeyGEFOUNKVGMFQLQ-UHFFFAOYSA-N
MW396.85 g/mol
LogP-0.35
Rot. Bonds11

About 2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride (PubChem CID 119752398) has the molecular formula C13H21ClN4O6S and a molecular weight of 396.85 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride
PubChem CID119752398
Molecular FormulaC13H21ClN4O6S
Molecular Weight396.85 g/mol
Exact Mass396.09
IUPAC Name2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C13H20N4O6S.ClH/c1-23-9-8-14-10-13(18)15-6-7-16-24(21,22)12-4-2-11(3-5-12)17(19)20;/h2-5,14,16H,6-10H2,1H3,(H,15,18);1H
InChIKeyGEFOUNKVGMFQLQ-UHFFFAOYSA-N
XLogP-0.35
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812
3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416
4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 60583708
4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119305436
N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119821890
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119802904
N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
CID 119430375
4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108572022
methyl 4-[(4-nitrophenyl)sulfonylamino]butanoate
CID 2054576
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride (CID 119752398) is 2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride is COCCNCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride?
The InChIKey is GEFOUNKVGMFQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O6S.ClH/c1-23-9-8-14-10-13(18)15-6-7-16-24(21,22)12-4-2-11(3-5-12)17(19)20;/h2-5,14,16H,6-10H2,1H3,(H,15,18);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride has a molecular weight of 396.85 g/mol, XLogP of -0.35, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119752398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).