2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide

C18H19Cl3N2O4S — CID 126205366

IUPAC2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl3N2O4S/c1-3-11(2)23-28(25,26)13-6-4-12(5-7-13)27-10-18(24)22-17-9-15(20)14(19)8-16(17)21/h4-9,11,23H,3,10H2,1-2H3,(H,22,24)/t11-/m0/s1
InChIKeyHFKQYKXONZZSKK-NSHDSACASA-N
MW465.79 g/mol
LogP4.74
Rot. Bonds8

About 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide

2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 126205366) has the molecular formula C18H19Cl3N2O4S and a molecular weight of 465.79 g/mol. Its IUPAC name is 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID126205366
Molecular FormulaC18H19Cl3N2O4S
Molecular Weight465.79 g/mol
Exact Mass464.01
IUPAC Name2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl3N2O4S/c1-3-11(2)23-28(25,26)13-6-4-12(5-7-13)27-10-18(24)22-17-9-15(20)14(19)8-16(17)21/h4-9,11,23H,3,10H2,1-2H3,(H,22,24)/t11-/m0/s1
InChIKeyHFKQYKXONZZSKK-NSHDSACASA-N
XLogP4.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.79
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 126211529
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126211996
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
N-(4-bromo-2-fluorophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 126212362
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 126205010
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 126201924
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide
CID 133163726
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide (CID 126205366) is 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide is CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is HFKQYKXONZZSKK-NSHDSACASA-N. The full InChI is InChI=1S/C18H19Cl3N2O4S/c1-3-11(2)23-28(25,26)13-6-4-12(5-7-13)27-10-18(24)22-17-9-15(20)14(19)8-16(17)21/h4-9,11,23H,3,10H2,1-2H3,(H,22,24)/t11-/m0/s1.
What are the key properties of 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide?
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 465.79 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 126205366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).