N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide

C27H34N2O4S — CID 19073142

IUPACN-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
SMILESCCc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1CC
InChIInChI=1S/C27H34N2O4S/c1-4-20-11-12-22(16-21(20)5-2)24(15-19-9-7-6-8-10-19)28-18-27(31)23-13-14-26(30)25(17-23)29-34(3,32)33/h6-14,16-17,24,27-31H,4-5,15,18H2,1-3H3
InChIKeyOWEBPOZOUHRVAW-UHFFFAOYSA-N
MW482.65 g/mol
LogP4.50
Rot. Bonds11

About N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide

N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide (PubChem CID 19073142) has the molecular formula C27H34N2O4S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
PubChem CID19073142
Molecular FormulaC27H34N2O4S
Molecular Weight482.65 g/mol
Exact Mass482.22
IUPAC NameN-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
SMILESCCc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1CC
InChIInChI=1S/C27H34N2O4S/c1-4-20-11-12-22(16-21(20)5-2)24(15-19-9-7-6-8-10-19)28-18-27(31)23-13-14-26(30)25(17-23)29-34(3,32)33/h6-14,16-17,24,27-31H,4-5,15,18H2,1-3H3
InChIKeyOWEBPOZOUHRVAW-UHFFFAOYSA-N
XLogP4.50
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide (CID 19073142) is N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide is CCc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1CC.
What is the InChIKey of N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide?
The InChIKey is OWEBPOZOUHRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4S/c1-4-20-11-12-22(16-21(20)5-2)24(15-19-9-7-6-8-10-19)28-18-27(31)23-13-14-26(30)25(17-23)29-34(3,32)33/h6-14,16-17,24,27-31H,4-5,15,18H2,1-3H3.
What are the key properties of N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide?
N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide has a molecular weight of 482.65 g/mol, XLogP of 4.50, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[[1-(3,4-diethylphenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide is sourced from PubChem (CID 19073142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).