N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

C26H29N3O4S — CID 2916301

IUPACN-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H29N3O4S/c1-21-12-14-23(15-13-21)34(31,32)29(24-10-6-7-11-25(24)33-2)20-26(30)28-18-16-27(17-19-28)22-8-4-3-5-9-22/h3-15H,16-20H2,1-2H3
InChIKeyFBUGFMMNAPVTGX-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.55
Rot. Bonds7

About N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 2916301) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID2916301
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H29N3O4S/c1-21-12-14-23(15-13-21)34(31,32)29(24-10-6-7-11-25(24)33-2)20-26(30)28-18-16-27(17-19-28)22-8-4-3-5-9-22/h3-15H,16-20H2,1-2H3
InChIKeyFBUGFMMNAPVTGX-UHFFFAOYSA-N
XLogP3.55
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide 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-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 2916301) is N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is COc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is FBUGFMMNAPVTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-21-12-14-23(15-13-21)34(31,32)29(24-10-6-7-11-25(24)33-2)20-26(30)28-18-16-27(17-19-28)22-8-4-3-5-9-22/h3-15H,16-20H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 479.60 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2916301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).