N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide

C24H27NO5S — CID 93486755

IUPACN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide
SMILESCCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC
InChIInChI=1S/C24H27NO5S/c1-4-28-23-16-11-19(17-24(23)29-5-2)18(3)25-31(26,27)22-14-12-21(13-15-22)30-20-9-7-6-8-10-20/h6-18,25H,4-5H2,1-3H3/t18-/m1/s1
InChIKeyMRAXKQJITHVKSU-GOSISDBHSA-N
MW441.55 g/mol
LogP5.32
Rot. Bonds10

About N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide (PubChem CID 93486755) has the molecular formula C24H27NO5S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide
PubChem CID93486755
Molecular FormulaC24H27NO5S
Molecular Weight441.55 g/mol
Exact Mass441.16
IUPAC NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide
SMILESCCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC
InChIInChI=1S/C24H27NO5S/c1-4-28-23-16-11-19(17-24(23)29-5-2)18(3)25-31(26,27)22-14-12-21(13-15-22)30-20-9-7-6-8-10-20/h6-18,25H,4-5H2,1-3H3/t18-/m1/s1
InChIKeyMRAXKQJITHVKSU-GOSISDBHSA-N
XLogP5.32
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide 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

4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[2-ethoxy-5-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 7368615
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552303
4-butoxy-N-[(1R)-1-phenylethyl]-3-propan-2-ylbenzenesulfonamide
CID 124680588
N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide
CID 66838352
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide (CID 93486755) is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide is CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC.
What is the InChIKey of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide?
The InChIKey is MRAXKQJITHVKSU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27NO5S/c1-4-28-23-16-11-19(17-24(23)29-5-2)18(3)25-31(26,27)22-14-12-21(13-15-22)30-20-9-7-6-8-10-20/h6-18,25H,4-5H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide?
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 93486755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).