2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide

C12H19N3O3S — CID 43461085

IUPAC2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide
SMILESCCCS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-7-19(17,18)15(9-12(14)16)8-10-3-5-11(13)6-4-10/h3-6H,2,7-9,13H2,1H3,(H2,14,16)
InChIKeyMVFZOLLTZJWOMG-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.30
Rot. Bonds7

About 2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide

2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide (PubChem CID 43461085) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide
PubChem CID43461085
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide
SMILESCCCS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-7-19(17,18)15(9-12(14)16)8-10-3-5-11(13)6-4-10/h3-6H,2,7-9,13H2,1H3,(H2,14,16)
InChIKeyMVFZOLLTZJWOMG-UHFFFAOYSA-N
XLogP0.30
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.30
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide (CID 43461085) is 2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide is CCCS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide?
The InChIKey is MVFZOLLTZJWOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-7-19(17,18)15(9-12(14)16)8-10-3-5-11(13)6-4-10/h3-6H,2,7-9,13H2,1H3,(H2,14,16).
What are the key properties of 2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide?
2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide is sourced from PubChem (CID 43461085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).