4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide

C25H35N3O4S — CID 20629964

IUPAC4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide
SMILESCCC1(CC)CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CCO1
InChIInChI=1S/C25H35N3O4S/c1-6-25(7-2)18-28(16-17-32-25)22-14-12-20(13-15-22)26-23(29)19-8-10-21(11-9-19)27-33(30,31)24(3,4)5/h8-15,27H,6-7,16-18H2,1-5H3,(H,26,29)
InChIKeyBLIVGRHAUAJVOB-UHFFFAOYSA-N
MW473.64 g/mol
LogP4.87
Rot. Bonds7

About 4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide

4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide (PubChem CID 20629964) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide
PubChem CID20629964
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide
SMILESCCC1(CC)CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CCO1
InChIInChI=1S/C25H35N3O4S/c1-6-25(7-2)18-28(16-17-32-25)22-14-12-20(13-15-22)26-23(29)19-8-10-21(11-9-19)27-33(30,31)24(3,4)5/h8-15,27H,6-7,16-18H2,1-5H3,(H,26,29)
InChIKeyBLIVGRHAUAJVOB-UHFFFAOYSA-N
XLogP4.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 20629931
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
CID 20630033
4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
CID 112984216
4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]aniline
CID 59231458
4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide
CID 67112698
N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
CID 20630386
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
N-[4-[[4-(2,2-diethylmorpholin-4-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939448
4-(tert-butylsulfonylamino)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 20629092
4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide
CID 20630833

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide (CID 20629964) is 4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide is CCC1(CC)CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)CCO1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide?
The InChIKey is BLIVGRHAUAJVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c1-6-25(7-2)18-28(16-17-32-25)22-14-12-20(13-15-22)26-23(29)19-8-10-21(11-9-19)27-33(30,31)24(3,4)5/h8-15,27H,6-7,16-18H2,1-5H3,(H,26,29).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide?
4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide has a molecular weight of 473.64 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide is sourced from PubChem (CID 20629964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).