N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide

C20H24N4O4S — CID 90521056

IUPACN'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C20H24N4O4S/c1-15-4-6-17(7-5-15)23-20(26)19(25)22-13-16-8-11-24(12-9-16)29(27,28)18-3-2-10-21-14-18/h2-7,10,14,16H,8-9,11-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyLPSHZGCKYLOSRS-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.55
Rot. Bonds5

About N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide

N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide (PubChem CID 90521056) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
PubChem CID90521056
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C20H24N4O4S/c1-15-4-6-17(7-5-15)23-20(26)19(25)22-13-16-8-11-24(12-9-16)29(27,28)18-3-2-10-21-14-18/h2-7,10,14,16H,8-9,11-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyLPSHZGCKYLOSRS-UHFFFAOYSA-N
XLogP1.55
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-dimethylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521064
N'-[4-(dimethylamino)phenyl]-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521084
N'-(2-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521058
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
1-(3,5-dimethylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521683
N'-(1,2-oxazol-3-yl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786358
1-(4-ethoxyphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521691
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide (CID 90521056) is N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
The InChIKey is LPSHZGCKYLOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-15-4-6-17(7-5-15)23-20(26)19(25)22-13-16-8-11-24(12-9-16)29(27,28)18-3-2-10-21-14-18/h2-7,10,14,16H,8-9,11-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide?
N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide has a molecular weight of 416.50 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 90521056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).