N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C21H26N2O6S — CID 24979487

IUPACN-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O6S/c1-16-7-8-17(15-20(16)30(25,26)23-10-13-28-14-11-23)21(24)22-9-12-29-19-6-4-3-5-18(19)27-2/h3-8,15H,9-14H2,1-2H3,(H,22,24)
InChIKeyCSOBKGOVDNUQMV-UHFFFAOYSA-N
MW434.51 g/mol
LogP1.83
Rot. Bonds8

About N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 24979487) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID24979487
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O6S/c1-16-7-8-17(15-20(16)30(25,26)23-10-13-28-14-11-23)21(24)22-9-12-29-19-6-4-3-5-18(19)27-2/h3-8,15H,9-14H2,1-2H3,(H,22,24)
InChIKeyCSOBKGOVDNUQMV-UHFFFAOYSA-N
XLogP1.83
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide 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-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 24979487) is N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is COc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CSOBKGOVDNUQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-16-7-8-17(15-20(16)30(25,26)23-10-13-28-14-11-23)21(24)22-9-12-29-19-6-4-3-5-18(19)27-2/h3-8,15H,9-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 434.51 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 24979487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).