N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide

C13H21N3O5S — CID 119421695

IUPACN-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide
SMILESCCOCCS(=O)(=O)NCC(=O)Nc1cc(OC)ccc1N
InChIInChI=1S/C13H21N3O5S/c1-3-21-6-7-22(18,19)15-9-13(17)16-12-8-10(20-2)4-5-11(12)14/h4-5,8,15H,3,6-7,9,14H2,1-2H3,(H,16,17)
InChIKeyPXFFNSNXNGXYRS-UHFFFAOYSA-N
MW331.39 g/mol
LogP0.17
Rot. Bonds9

About N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide

N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide (PubChem CID 119421695) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide
PubChem CID119421695
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC NameN-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide
SMILESCCOCCS(=O)(=O)NCC(=O)Nc1cc(OC)ccc1N
InChIInChI=1S/C13H21N3O5S/c1-3-21-6-7-22(18,19)15-9-13(17)16-12-8-10(20-2)4-5-11(12)14/h4-5,8,15H,3,6-7,9,14H2,1-2H3,(H,16,17)
InChIKeyPXFFNSNXNGXYRS-UHFFFAOYSA-N
XLogP0.17
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethoxy)propanamide
CID 119421324
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249
N-(2-amino-5-methoxyphenyl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119421823
N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119420848
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119420984
N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 119420945
N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide
CID 119421581
N-(2-amino-5-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119421709
2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 119438596
N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide
CID 63257845
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
CID 114110496
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide (CID 119421695) is N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide is CCOCCS(=O)(=O)NCC(=O)Nc1cc(OC)ccc1N.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide?
The InChIKey is PXFFNSNXNGXYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-3-21-6-7-22(18,19)15-9-13(17)16-12-8-10(20-2)4-5-11(12)14/h4-5,8,15H,3,6-7,9,14H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide?
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide has a molecular weight of 331.39 g/mol, XLogP of 0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide is sourced from PubChem (CID 119421695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).