N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C26H35N3O8S — CID 4522036

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C26H35N3O8S/c1-4-36-23-18-21(28-8-12-34-13-9-28)24(37-5-2)17-20(23)27-26(30)19-6-7-22(33-3)25(16-19)38(31,32)29-10-14-35-15-11-29/h6-7,16-18H,4-5,8-15H2,1-3H3,(H,27,30)
InChIKeyLIRZHDXIAQOFTJ-UHFFFAOYSA-N
MW549.65 g/mol
LogP2.60
Rot. Bonds10

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4522036) has the molecular formula C26H35N3O8S and a molecular weight of 549.65 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4522036
Molecular FormulaC26H35N3O8S
Molecular Weight549.65 g/mol
Exact Mass549.21
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C26H35N3O8S/c1-4-36-23-18-21(28-8-12-34-13-9-28)24(37-5-2)17-20(23)27-26(30)19-6-7-22(33-3)25(16-19)38(31,32)29-10-14-35-15-11-29/h6-7,16-18H,4-5,8-15H2,1-3H3,(H,27,30)
InChIKeyLIRZHDXIAQOFTJ-UHFFFAOYSA-N
XLogP2.60
TPSA115.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.65
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 4522036) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LIRZHDXIAQOFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O8S/c1-4-36-23-18-21(28-8-12-34-13-9-28)24(37-5-2)17-20(23)27-26(30)19-6-7-22(33-3)25(16-19)38(31,32)29-10-14-35-15-11-29/h6-7,16-18H,4-5,8-15H2,1-3H3,(H,27,30).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 549.65 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4522036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).