2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide

C12H19N3O3S — CID 106333044

IUPAC2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H19N3O3S/c1-15(2)19(17,18)8-7-14-12(16)9-10-3-5-11(13)6-4-10/h3-6H,7-9,13H2,1-2H3,(H,14,16)
InChIKeyKPVSHTNRTAPVAN-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.18
Rot. Bonds6

About 2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide

2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide (PubChem CID 106333044) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
PubChem CID106333044
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
SMILESCN(C)S(=O)(=O)CCNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H19N3O3S/c1-15(2)19(17,18)8-7-14-12(16)9-10-3-5-11(13)6-4-10/h3-6H,7-9,13H2,1-2H3,(H,14,16)
InChIKeyKPVSHTNRTAPVAN-UHFFFAOYSA-N
XLogP-0.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333131
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406
5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333048
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide
CID 63589774
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
2-(4-chlorophenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]acetamide
CID 110287682
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
2-amino-N-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]acetamide
CID 114175259
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106337531

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide (CID 106333044) is 2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide is CN(C)S(=O)(=O)CCNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
The InChIKey is KPVSHTNRTAPVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-15(2)19(17,18)8-7-14-12(16)9-10-3-5-11(13)6-4-10/h3-6H,7-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide?
2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide is sourced from PubChem (CID 106333044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).