2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide

C21H26N2O7S — CID 55586581

IUPAC2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1
InChIInChI=1S/C21H26N2O7S/c1-27-16-4-3-5-17(14-16)30-11-8-22-21(24)19-15-18(6-7-20(19)28-2)31(25,26)23-9-12-29-13-10-23/h3-7,14-15H,8-13H2,1-2H3,(H,22,24)
InChIKeyGBUOUCUOWKVLKT-UHFFFAOYSA-N
MW450.51 g/mol
LogP1.53
Rot. Bonds9

About 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide

2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55586581) has the molecular formula C21H26N2O7S and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55586581
Molecular FormulaC21H26N2O7S
Molecular Weight450.51 g/mol
Exact Mass450.15
IUPAC Name2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1
InChIInChI=1S/C21H26N2O7S/c1-27-16-4-3-5-17(14-16)30-11-8-22-21(24)19-15-18(6-7-20(19)28-2)31(25,26)23-9-12-29-13-10-23/h3-7,14-15H,8-13H2,1-2H3,(H,22,24)
InChIKeyGBUOUCUOWKVLKT-UHFFFAOYSA-N
XLogP1.53
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-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

Related Compounds

2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591075
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
4-morpholin-4-ylsulfonyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865968

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide (CID 55586581) is 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide is COc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1.
What is the InChIKey of 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GBUOUCUOWKVLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S/c1-27-16-4-3-5-17(14-16)30-11-8-22-21(24)19-15-18(6-7-20(19)28-2)31(25,26)23-9-12-29-13-10-23/h3-7,14-15H,8-13H2,1-2H3,(H,22,24).
What are the key properties of 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide?
2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 450.51 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55586581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).