N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide

C16H26N2O4S — CID 126392203

IUPACN-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C
InChIInChI=1S/C16H26N2O4S/c1-5-6-9-17-16(19)11-22-15-8-7-14(10-13(15)4)23(20,21)18-12(2)3/h7-8,10,12,18H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyAVNBVWFWLUQIDB-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.98
Rot. Bonds9

About N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide

N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 126392203) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID126392203
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C
InChIInChI=1S/C16H26N2O4S/c1-5-6-9-17-16(19)11-22-15-8-7-14(10-13(15)4)23(20,21)18-12(2)3/h7-8,10,12,18H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyAVNBVWFWLUQIDB-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 3304224
N-(4-methoxyphenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 3961591
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395881
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28554997
N-(2-methoxyethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126385177
methyl 2-[[2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2230108
N-(3-methylbutyl)-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 82910962
3-methyl-4-[2-(3-methylbutylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82911319
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide
CID 4036052
N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2227366
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2975724

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 126392203) is N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide is CCCCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C.
What is the InChIKey of N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is AVNBVWFWLUQIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-6-9-17-16(19)11-22-15-8-7-14(10-13(15)4)23(20,21)18-12(2)3/h7-8,10,12,18H,5-6,9,11H2,1-4H3,(H,17,19).
What are the key properties of N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 342.46 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 126392203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).