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

C25H32FN3O7S — CID 3686444

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C25H32FN3O7S/c1-3-35-23-17-22(28-7-11-33-12-8-28)24(36-4-2)16-21(23)27-25(30)19-15-18(5-6-20(19)26)37(31,32)29-9-13-34-14-10-29/h5-6,15-17H,3-4,7-14H2,1-2H3,(H,27,30)
InChIKeyHSTUEIMJAXJCTE-UHFFFAOYSA-N
MW537.61 g/mol
LogP2.73
Rot. Bonds9

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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 3686444) has the molecular formula C25H32FN3O7S and a molecular weight of 537.61 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID3686444
Molecular FormulaC25H32FN3O7S
Molecular Weight537.61 g/mol
Exact Mass537.19
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C25H32FN3O7S/c1-3-35-23-17-22(28-7-11-33-12-8-28)24(36-4-2)16-21(23)27-25(30)19-15-18(5-6-20(19)26)37(31,32)29-9-13-34-14-10-29/h5-6,15-17H,3-4,7-14H2,1-2H3,(H,27,30)
InChIKeyHSTUEIMJAXJCTE-UHFFFAOYSA-N
XLogP2.73
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.61
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3585656
methyl 3-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516935
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5126230
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 3686444) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HSTUEIMJAXJCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O7S/c1-3-35-23-17-22(28-7-11-33-12-8-28)24(36-4-2)16-21(23)27-25(30)19-15-18(5-6-20(19)26)37(31,32)29-9-13-34-14-10-29/h5-6,15-17H,3-4,7-14H2,1-2H3,(H,27,30).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 537.61 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3686444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).