N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C28H28N2O4S — CID 42701827

IUPACN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(CN(CCc2ccccn2)S(=O)(=O)c2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C28H28N2O4S/c1-33-27-16-15-24(20-28(27)34-22-23-10-4-2-5-11-23)21-30(19-17-25-12-8-9-18-29-25)35(31,32)26-13-6-3-7-14-26/h2-16,18,20H,17,19,21-22H2,1H3
InChIKeyJXTNAXIIZUOLMU-UHFFFAOYSA-N
MW488.61 g/mol
LogP5.10
Rot. Bonds11

About N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 42701827) has the molecular formula C28H28N2O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID42701827
Molecular FormulaC28H28N2O4S
Molecular Weight488.61 g/mol
Exact Mass488.18
IUPAC NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(CN(CCc2ccccn2)S(=O)(=O)c2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C28H28N2O4S/c1-33-27-16-15-24(20-28(27)34-22-23-10-4-2-5-11-23)21-30(19-17-25-12-8-9-18-29-25)35(31,32)26-13-6-3-7-14-26/h2-16,18,20H,17,19,21-22H2,1H3
InChIKeyJXTNAXIIZUOLMU-UHFFFAOYSA-N
XLogP5.10
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide 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-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
3-fluoro-4-methoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084554
N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
CID 160815166
3-(3-chlorophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 42702097
N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 4990608
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 42704317
2-[benzenesulfonyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetic acid
CID 100592306
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084565
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 68839024
3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084535

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 42701827) is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide is COc1ccc(CN(CCc2ccccn2)S(=O)(=O)c2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is JXTNAXIIZUOLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4S/c1-33-27-16-15-24(20-28(27)34-22-23-10-4-2-5-11-23)21-30(19-17-25-12-8-9-18-29-25)35(31,32)26-13-6-3-7-14-26/h2-16,18,20H,17,19,21-22H2,1H3.
What are the key properties of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 488.61 g/mol, XLogP of 5.10, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 42701827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).