N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide

C26H31N3O3S — CID 10344437

IUPACN-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide
SMILESCCCCS(=O)(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H31N3O3S/c1-5-6-18-33(31,32)29-23-8-7-17-27-24(23)19-9-11-20(12-10-19)25(30)28-22-15-13-21(14-16-22)26(2,3)4/h7-17,29H,5-6,18H2,1-4H3,(H,28,30)
InChIKeyMGGPIWUPAMCKRL-UHFFFAOYSA-N
MW465.62 g/mol
LogP5.84
Rot. Bonds8

About N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide

N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide (PubChem CID 10344437) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide
PubChem CID10344437
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide
SMILESCCCCS(=O)(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H31N3O3S/c1-5-6-18-33(31,32)29-23-8-7-17-27-24(23)19-9-11-20(12-10-19)25(30)28-22-15-13-21(14-16-22)26(2,3)4/h7-17,29H,5-6,18H2,1-4H3,(H,28,30)
InChIKeyMGGPIWUPAMCKRL-UHFFFAOYSA-N
XLogP5.84
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Verubecestat
CID 51352361
Stf-31
CID 984333
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
4-Pentyl-N-pyridin-3-yl-benzamide
CID 2796370
5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 2801003
4-butyl-N-(pyridin-3-yl)benzamide
CID 4286311
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
N-(4-tert-butylphenyl)-4-(pyridin-2-yl)benzamide
CID 11472986
4-hexyl-N-quinolin-3-ylbenzamide
CID 44450347
4-Acetamido-N-(2-amino-5-(pyridin-4-yl)phenyl)benzamide
CID 118987449

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide (CID 10344437) is N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide is CCCCS(=O)(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide?
The InChIKey is MGGPIWUPAMCKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-5-6-18-33(31,32)29-23-8-7-17-27-24(23)19-9-11-20(12-10-19)25(30)28-22-15-13-21(14-16-22)26(2,3)4/h7-17,29H,5-6,18H2,1-4H3,(H,28,30).
What are the key properties of N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide?
N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide has a molecular weight of 465.62 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 10344437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).