N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide

C11H16N2O3S — CID 155291867

IUPACN-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N)c(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C11H16N2O3S/c1-7(2)17(15,16)11-6-9(13-8(3)14)4-5-10(11)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyCSEATMFIULBGIS-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.41
Rot. Bonds3

About N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide

N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 155291867) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide
PubChem CID155291867
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N)c(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C11H16N2O3S/c1-7(2)17(15,16)11-6-9(13-8(3)14)4-5-10(11)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyCSEATMFIULBGIS-UHFFFAOYSA-N
XLogP1.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.41
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-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide
CID 143186185
5-[(4-acetylbenzoyl)amino]-2-aminobenzenesulfonic acid
CID 118861935
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide
CID 65034115
N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron
CID 70193525
N-(4-amino-3-piperidin-1-ylphenyl)acetamide
CID 69310437
2-amino-5-(hydroxyamino)benzenesulfonic acid
CID 89039336
2-oxo-2-(4-propan-2-ylsulfonylanilino)acetic acid
CID 82502013
5-acetamido-2-[(E)-2-[4-(propan-2-ylcarbamoylamino)-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 71487411
3-(4-acetamido-2-aminophenyl)sulfanylpropane-1-sulfonic acid
CID 87693576
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide (CID 155291867) is N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide is CC(=O)Nc1ccc(N)c(S(=O)(=O)C(C)C)c1.
What is the InChIKey of N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is CSEATMFIULBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(2)17(15,16)11-6-9(13-8(3)14)4-5-10(11)12/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide?
N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 256.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 155291867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).