2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide

C19H23ClN2O4S2 — CID 55464247

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CSCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O4S2/c1-3-22(4-2)28(25,26)16-9-10-18(23)17(11-16)21-19(24)13-27-12-14-5-7-15(20)8-6-14/h5-11,23H,3-4,12-13H2,1-2H3,(H,21,24)
InChIKeyIHWYFHDTBLXLTC-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.95
Rot. Bonds9

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide (PubChem CID 55464247) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide
PubChem CID55464247
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CSCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O4S2/c1-3-22(4-2)28(25,26)16-9-10-18(23)17(11-16)21-19(24)13-27-12-14-5-7-15(20)8-6-14/h5-11,23H,3-4,12-13H2,1-2H3,(H,21,24)
InChIKeyIHWYFHDTBLXLTC-UHFFFAOYSA-N
XLogP3.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2969943
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667081
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 26252162
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 17421204
N-(5-chloro-2-hydroxyphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 56581526
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92676121
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 35995593
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 3615295
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55732602

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide (CID 55464247) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CSCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide?
The InChIKey is IHWYFHDTBLXLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-3-22(4-2)28(25,26)16-9-10-18(23)17(11-16)21-19(24)13-27-12-14-5-7-15(20)8-6-14/h5-11,23H,3-4,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide has a molecular weight of 442.99 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 55464247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).