N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide

C12H18N2O4S — CID 82716009

IUPACN-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NOCC(C)C)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(2)8-18-14-19(16,17)12-6-4-11(5-7-12)13-10(3)15/h4-7,9,14H,8H2,1-3H3,(H,13,15)
InChIKeyQYHIMNUSXSSBAC-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.51
Rot. Bonds6

About N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide

N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide (PubChem CID 82716009) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide
PubChem CID82716009
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NOCC(C)C)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(2)8-18-14-19(16,17)12-6-4-11(5-7-12)13-10(3)15/h4-7,9,14H,8H2,1-3H3,(H,13,15)
InChIKeyQYHIMNUSXSSBAC-UHFFFAOYSA-N
XLogP1.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2-methylpropoxysulfamoyl)benzoate
CID 82715916
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
methyl (2R)-3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 96543237
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 71847844
N-[4-[(2-bromo-4-methylpentyl)sulfamoyl]phenyl]acetamide
CID 107158226
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
3-acetyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82715915
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
CID 115302862

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide (CID 82716009) is N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NOCC(C)C)cc1.
What is the InChIKey of N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide?
The InChIKey is QYHIMNUSXSSBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(2)8-18-14-19(16,17)12-6-4-11(5-7-12)13-10(3)15/h4-7,9,14H,8H2,1-3H3,(H,13,15).
What are the key properties of N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide?
N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide has a molecular weight of 286.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide is sourced from PubChem (CID 82716009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).