4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide

C25H35N3O4S — CID 20630033

IUPAC4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
SMILESCc1cc(N2CC(C)OC(C)C2)cc(C)c1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C25H35N3O4S/c1-16-12-22(28-14-18(3)32-19(4)15-28)13-17(2)23(16)26-24(29)20-8-10-21(11-9-20)27-33(30,31)25(5,6)7/h8-13,18-19,27H,14-15H2,1-7H3,(H,26,29)
InChIKeyBGXZLBUIPJIJGI-UHFFFAOYSA-N
MW473.64 g/mol
LogP4.71
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide

4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide (PubChem CID 20630033) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
PubChem CID20630033
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
SMILESCc1cc(N2CC(C)OC(C)C2)cc(C)c1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C25H35N3O4S/c1-16-12-22(28-14-18(3)32-19(4)15-28)13-17(2)23(16)26-24(29)20-8-10-21(11-9-20)27-33(30,31)25(5,6)7/h8-13,18-19,27H,14-15H2,1-7H3,(H,26,29)
InChIKeyBGXZLBUIPJIJGI-UHFFFAOYSA-N
XLogP4.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 20629618
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630106
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376755
N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70839201
4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
CID 160510783
4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
CID 20630356
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
4-(tert-butylsulfonylamino)-N-[4-(2,2-diethylmorpholin-4-yl)phenyl]benzamide
CID 20629964
4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide
CID 20630819
N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
CID 20630879
N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20628836
4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
CID 20629931

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide (CID 20630033) is 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide is Cc1cc(N2CC(C)OC(C)C2)cc(C)c1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide?
The InChIKey is BGXZLBUIPJIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c1-16-12-22(28-14-18(3)32-19(4)15-28)13-17(2)23(16)26-24(29)20-8-10-21(11-9-20)27-33(30,31)25(5,6)7/h8-13,18-19,27H,14-15H2,1-7H3,(H,26,29).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide?
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide has a molecular weight of 473.64 g/mol, XLogP of 4.71, 5 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-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide is sourced from PubChem (CID 20630033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).