2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide

C24H25ClN2O4S2 — CID 126274408

IUPAC2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H25ClN2O4S2/c1-17(2)15-26-33(29,30)19-12-13-22(20(25)14-19)31-16-24(28)27-21-10-6-7-11-23(21)32-18-8-4-3-5-9-18/h3-14,17,26H,15-16H2,1-2H3,(H,27,28)
InChIKeyYFRIFRXONYHEGF-UHFFFAOYSA-N
MW505.06 g/mol
LogP5.44
Rot. Bonds10

About 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide

2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 126274408) has the molecular formula C24H25ClN2O4S2 and a molecular weight of 505.06 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID126274408
Molecular FormulaC24H25ClN2O4S2
Molecular Weight505.06 g/mol
Exact Mass504.09
IUPAC Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1
InChIInChI=1S/C24H25ClN2O4S2/c1-17(2)15-26-33(29,30)19-12-13-22(20(25)14-19)31-16-24(28)27-21-10-6-7-11-23(21)32-18-8-4-3-5-9-18/h3-14,17,26H,15-16H2,1-2H3,(H,27,28)
InChIKeyYFRIFRXONYHEGF-UHFFFAOYSA-N
XLogP5.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.06
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 126263338
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2207126
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 1008134
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126277429
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(2-ethylphenyl)acetamide
CID 126279616
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 5001110
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 1007844
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 124554917
methyl 2-[[2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126387998

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide (CID 126274408) is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide is CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is YFRIFRXONYHEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S2/c1-17(2)15-26-33(29,30)19-12-13-22(20(25)14-19)31-16-24(28)27-21-10-6-7-11-23(21)32-18-8-4-3-5-9-18/h3-14,17,26H,15-16H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide?
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 505.06 g/mol, XLogP of 5.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 126274408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).