N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide

C13H21N3O4S — CID 79272393

IUPACN-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNCCOC)cc1
InChIInChI=1S/C13H21N3O4S/c1-3-21(18,19)16-12-6-4-11(5-7-12)15-13(17)10-14-8-9-20-2/h4-7,14,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyRFSSKWZIQQNPFG-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.62
Rot. Bonds9

About N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide

N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 79272393) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
PubChem CID79272393
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNCCOC)cc1
InChIInChI=1S/C13H21N3O4S/c1-3-21(18,19)16-12-6-4-11(5-7-12)15-13(17)10-14-8-9-20-2/h4-7,14,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyRFSSKWZIQQNPFG-UHFFFAOYSA-N
XLogP0.62
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119754250
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-(2-methoxyethylamino)-N-[3-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119795017
N-[4-(ethylsulfonylamino)phenyl]-2-(methylamino)acetamide
CID 54863090
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
N-[4-(3,5-dimethylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119741341
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide
CID 119769564
N-ethylsulfonyl-2-(2-methoxyethylamino)acetamide
CID 103306916

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide (CID 79272393) is N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)CNCCOC)cc1.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is RFSSKWZIQQNPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-21(18,19)16-12-6-4-11(5-7-12)15-13(17)10-14-8-9-20-2/h4-7,14,16H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide?
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 315.40 g/mol, XLogP of 0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79272393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).