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

C14H21N3O3S — CID 105360561

IUPAC2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide
SMILESNC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)C1CCCC1
InChIInChI=1S/C14H21N3O3S/c15-12-7-5-11(6-8-12)9-17(10-14(16)18)21(19,20)13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2,(H2,16,18)
InChIKeyWXFRIWNMCZFYFQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.83
Rot. Bonds6

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

2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide (PubChem CID 105360561) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide
PubChem CID105360561
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide
SMILESNC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)C1CCCC1
InChIInChI=1S/C14H21N3O3S/c15-12-7-5-11(6-8-12)9-17(10-14(16)18)21(19,20)13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2,(H2,16,18)
InChIKeyWXFRIWNMCZFYFQ-UHFFFAOYSA-N
XLogP0.83
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.83
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-aminophenyl)methyl-propylsulfonylamino]acetamide
CID 43461085
N,N-dibenzylcyclohexanesulfonamide
CID 162418871
N-(3-aminopropyl)-N-benzylcyclopentanesulfonamide
CID 107366552
N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide
CID 43460030
4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid
CID 105360749
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
2-[cyclopentyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 82973746
N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64988006
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
1-amino-4-[[propyl(sulfamoyl)amino]methyl]benzene
CID 114958655
2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939182

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide (CID 105360561) is 2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide is NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide?
The InChIKey is WXFRIWNMCZFYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-12-7-5-11(6-8-12)9-17(10-14(16)18)21(19,20)13-3-1-2-4-13/h5-8,13H,1-4,9-10,15H2,(H2,16,18).
What are the key properties of 2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide?
2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-cyclopentylsulfonylamino]acetamide is sourced from PubChem (CID 105360561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).