N-(3-aminophenyl)-2-propylsulfonylacetamide

C11H16N2O3S — CID 43444789

IUPACN-(3-aminophenyl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H16N2O3S/c1-2-6-17(15,16)8-11(14)13-10-5-3-4-9(12)7-10/h3-5,7H,2,6,8,12H2,1H3,(H,13,14)
InChIKeyONWZZASECLCMSQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.03
Rot. Bonds5

About N-(3-aminophenyl)-2-propylsulfonylacetamide

N-(3-aminophenyl)-2-propylsulfonylacetamide (PubChem CID 43444789) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-propylsulfonylacetamide
PubChem CID43444789
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(3-aminophenyl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H16N2O3S/c1-2-6-17(15,16)8-11(14)13-10-5-3-4-9(12)7-10/h3-5,7H,2,6,8,12H2,1H3,(H,13,14)
InChIKeyONWZZASECLCMSQ-UHFFFAOYSA-N
XLogP1.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-3-(2-methylsulfonylethylsulfonyl)propanamide
CID 63658124
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43444010
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
CID 47207398
3-(3-aminophenyl)-1-methyl-1-(2-methylsulfonylethyl)urea
CID 79863865
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372
N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181859
N-[3-(aminomethyl)phenyl]-4-propylsulfonylbutanamide
CID 64698230

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-propylsulfonylacetamide?
The IUPAC name of N-(3-aminophenyl)-2-propylsulfonylacetamide (CID 43444789) is N-(3-aminophenyl)-2-propylsulfonylacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-propylsulfonylacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-propylsulfonylacetamide is CCCS(=O)(=O)CC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-propylsulfonylacetamide?
The InChIKey is ONWZZASECLCMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-6-17(15,16)8-11(14)13-10-5-3-4-9(12)7-10/h3-5,7H,2,6,8,12H2,1H3,(H,13,14).
What are the key properties of N-(3-aminophenyl)-2-propylsulfonylacetamide?
N-(3-aminophenyl)-2-propylsulfonylacetamide has a molecular weight of 256.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-propylsulfonylacetamide is sourced from PubChem (CID 43444789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).