N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide

C17H19NO4S2 — CID 46665393

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)C(C)Sc2ccccc2)c1
InChIInChI=1S/C17H19NO4S2/c1-3-24(21,22)14-9-10-16(19)15(11-14)18-17(20)12(2)23-13-7-5-4-6-8-13/h4-12,19H,3H2,1-2H3,(H,18,20)
InChIKeyXKMDUCWOHDFHSW-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.31
Rot. Bonds6

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide (PubChem CID 46665393) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide
PubChem CID46665393
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)C(C)Sc2ccccc2)c1
InChIInChI=1S/C17H19NO4S2/c1-3-24(21,22)14-9-10-16(19)15(11-14)18-17(20)12(2)23-13-7-5-4-6-8-13/h4-12,19H,3H2,1-2H3,(H,18,20)
InChIKeyXKMDUCWOHDFHSW-UHFFFAOYSA-N
XLogP3.31
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)propanamide
CID 86971404
(2R)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 92679928
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 8883782
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
CID 46796637
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2977201
(2S)-2-benzylsulfanyl-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51959331

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide (CID 46665393) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)C(C)Sc2ccccc2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is XKMDUCWOHDFHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-3-24(21,22)14-9-10-16(19)15(11-14)18-17(20)12(2)23-13-7-5-4-6-8-13/h4-12,19H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 46665393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).