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

C25H28N2O5S — CID 28552297

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-18(21-9-11-22(31-3)12-10-21)26-25(28)17-32-23-13-15-24(16-14-23)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+/m0/s1
InChIKeyIQRNVZHVIQPHNF-RBUKOAKNSA-N
MW468.58 g/mol
LogP3.99
Rot. Bonds10

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

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (PubChem CID 28552297) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
PubChem CID28552297
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-18(21-9-11-22(31-3)12-10-21)26-25(28)17-32-23-13-15-24(16-14-23)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+/m0/s1
InChIKeyIQRNVZHVIQPHNF-RBUKOAKNSA-N
XLogP3.99
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552303
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552366
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4197939
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
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
N-(2-methoxyethyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4548292
2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40720374
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (CID 28552297) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is IQRNVZHVIQPHNF-RBUKOAKNSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-18(21-9-11-22(31-3)12-10-21)26-25(28)17-32-23-13-15-24(16-14-23)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+/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 28552297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).