N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide

C12H18N2O3S — CID 3113473

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-9(2)14-18(16,17)12-7-5-11(6-8-12)13-10(3)15/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyTZPLNNIOFJNAJU-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.72
Rot. Bonds5

About N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide

N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 3113473) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID3113473
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-9(2)14-18(16,17)12-7-5-11(6-8-12)13-10(3)15/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyTZPLNNIOFJNAJU-UHFFFAOYSA-N
XLogP1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
CID 7448572
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-ethoxyacetamide
CID 4530095
[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8716813
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide (CID 3113473) is N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide is CCC(C)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is TZPLNNIOFJNAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-9(2)14-18(16,17)12-7-5-11(6-8-12)13-10(3)15/h5-9,14H,4H2,1-3H3,(H,13,15).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 270.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3113473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).