N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

C25H28N2O4S2 — CID 28552366

IUPACN-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S2/c1-18(21-9-13-23(32-3)14-10-21)26-25(28)17-31-22-11-15-24(16-12-22)33(29,30)27-19(2)20-7-5-4-6-8-20/h4-16,18-19,27H,17H2,1-3H3,(H,26,28)/t18-,19+/m1/s1
InChIKeyPQXMMCQEFFODFE-MOPGFXCFSA-N
MW484.64 g/mol
LogP4.70
Rot. Bonds10

About N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (PubChem CID 28552366) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
PubChem CID28552366
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC NameN-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S2/c1-18(21-9-13-23(32-3)14-10-21)26-25(28)17-31-22-11-15-24(16-12-22)33(29,30)27-19(2)20-7-5-4-6-8-20/h4-16,18-19,27H,17H2,1-3H3,(H,26,28)/t18-,19+/m1/s1
InChIKeyPQXMMCQEFFODFE-MOPGFXCFSA-N
XLogP4.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide 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

N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28552015
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 28553139
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 43873186
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552303
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556860
N-tert-butyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152898
N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695
2-[4-[(3-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554261
N-[1-(4-fluorophenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 43906314
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (CID 28552366) is N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is PQXMMCQEFFODFE-MOPGFXCFSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-18(21-9-13-23(32-3)14-10-21)26-25(28)17-31-22-11-15-24(16-12-22)33(29,30)27-19(2)20-7-5-4-6-8-20/h4-16,18-19,27H,17H2,1-3H3,(H,26,28)/t18-,19+/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 484.64 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 28552366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).