2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide

C15H21N5O4S — CID 121177040

IUPAC2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide
SMILESCC(C)C(Cn1nccn1)NS(=O)(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H21N5O4S/c1-11(2)14(9-20-17-7-8-18-20)19-25(22,23)13-5-3-12(4-6-13)24-10-15(16)21/h3-8,11,14,19H,9-10H2,1-2H3,(H2,16,21)
InChIKeyITKOCQZTPYSWLI-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.15
Rot. Bonds9

About 2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide

2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide (PubChem CID 121177040) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide
PubChem CID121177040
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide
SMILESCC(C)C(Cn1nccn1)NS(=O)(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H21N5O4S/c1-11(2)14(9-20-17-7-8-18-20)19-25(22,23)13-5-3-12(4-6-13)24-10-15(16)21/h3-8,11,14,19H,9-10H2,1-2H3,(H2,16,21)
InChIKeyITKOCQZTPYSWLI-UHFFFAOYSA-N
XLogP0.15
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121177004
N-[3-methyl-1-(triazol-2-yl)butan-2-yl]naphthalene-2-sulfonamide
CID 121176996
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]phenoxy]acetic acid
CID 79236547
4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129417000
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121176946
2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 100814427
2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129416500
2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
CID 100814421
2-[4-(3,3-dimethylbutan-2-ylsulfamoyl)phenoxy]acetic acid
CID 104827593
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068700

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide (CID 121177040) is 2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide is CC(C)C(Cn1nccn1)NS(=O)(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide?
The InChIKey is ITKOCQZTPYSWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-11(2)14(9-20-17-7-8-18-20)19-25(22,23)13-5-3-12(4-6-13)24-10-15(16)21/h3-8,11,14,19H,9-10H2,1-2H3,(H2,16,21).
What are the key properties of 2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide?
2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide has a molecular weight of 367.43 g/mol, XLogP of 0.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 121177040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).