N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride

C13H22ClN3O4S — CID 119421823

IUPACN-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)Nc1cc(OC)ccc1N.Cl
InChIInChI=1S/C13H21N3O4S.ClH/c1-4-16(5-2)21(18,19)9-13(17)15-12-8-10(20-3)6-7-11(12)14;/h6-8H,4-5,9,14H2,1-3H3,(H,15,17);1H
InChIKeyZQCIBHVAOMECGN-UHFFFAOYSA-N
MW351.86 g/mol
LogP1.31
Rot. Bonds7

About N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride

N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride (PubChem CID 119421823) has the molecular formula C13H22ClN3O4S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride
PubChem CID119421823
Molecular FormulaC13H22ClN3O4S
Molecular Weight351.86 g/mol
Exact Mass351.10
IUPAC NameN-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)Nc1cc(OC)ccc1N.Cl
InChIInChI=1S/C13H21N3O4S.ClH/c1-4-16(5-2)21(18,19)9-13(17)15-12-8-10(20-3)6-7-11(12)14;/h6-8H,4-5,9,14H2,1-3H3,(H,15,17);1H
InChIKeyZQCIBHVAOMECGN-UHFFFAOYSA-N
XLogP1.31
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119420984
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CID 119420848
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide
CID 119421695
N-(2-amino-5-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119421709
N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide
CID 63257845
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
N-(2-amino-5-methoxyphenyl)-2-ethylhexanamide;hydrochloride
CID 120607557
N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 119421736
N-(2-amino-5-methoxyphenyl)-4-methyl-3-phenylpentanamide
CID 119420670
N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide
CID 119421581
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
CID 119421357
N-(2-amino-5-methoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 63257743

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride (CID 119421823) is N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride is CCN(CC)S(=O)(=O)CC(=O)Nc1cc(OC)ccc1N.Cl.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride?
The InChIKey is ZQCIBHVAOMECGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S.ClH/c1-4-16(5-2)21(18,19)9-13(17)15-12-8-10(20-3)6-7-11(12)14;/h6-8H,4-5,9,14H2,1-3H3,(H,15,17);1H.
What are the key properties of N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride?
N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride has a molecular weight of 351.86 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119421823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).