N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide

C26H27N3O4S — CID 39186294

IUPACN-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)CCCC2)c1
InChIInChI=1S/C26H27N3O4S/c1-18-8-9-19(2)23(16-18)34(32,33)26(12-3-4-13-26)25(31)29-22-7-5-6-21(17-22)28-24(30)20-10-14-27-15-11-20/h5-11,14-17H,3-4,12-13H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyZEFGFWMNGXLPOW-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.68
Rot. Bonds6

About N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide

N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 39186294) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID39186294
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)CCCC2)c1
InChIInChI=1S/C26H27N3O4S/c1-18-8-9-19(2)23(16-18)34(32,33)26(12-3-4-13-26)25(31)29-22-7-5-6-21(17-22)28-24(30)20-10-14-27-15-11-20/h5-11,14-17H,3-4,12-13H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyZEFGFWMNGXLPOW-UHFFFAOYSA-N
XLogP4.68
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 51114730
N-(4-acetamido-3-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 37419686
N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24673698
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565396
ethyl 4-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]benzoate
CID 46665840
N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565332
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 39677964
methyl 3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylbenzoate
CID 24684190
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 46586522
N'-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1-methylpyrrole-2-carbohydrazide
CID 78828621
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
methyl 5-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]thiophene-2-carboxylate
CID 24567718

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide (CID 39186294) is N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)CCCC2)c1.
What is the InChIKey of N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is ZEFGFWMNGXLPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-18-8-9-19(2)23(16-18)34(32,33)26(12-3-4-13-26)25(31)29-22-7-5-6-21(17-22)28-24(30)20-10-14-27-15-11-20/h5-11,14-17H,3-4,12-13H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 39186294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).