N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide

C26H30N4O3S — CID 112798825

IUPACN-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(C(=O)N3CCCCC3)cc2)nc1
InChIInChI=1S/C26H30N4O3S/c1-2-30(23-9-5-3-6-10-23)34(32,33)24-15-16-25(28-20-24)27-19-21-11-13-22(14-12-21)26(31)29-17-7-4-8-18-29/h3,5-6,9-16,20H,2,4,7-8,17-19H2,1H3,(H,27,28)
InChIKeyXDTITFGOQSFDDF-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.53
Rot. Bonds8

About N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide

N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide (PubChem CID 112798825) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide
PubChem CID112798825
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(C(=O)N3CCCCC3)cc2)nc1
InChIInChI=1S/C26H30N4O3S/c1-2-30(23-9-5-3-6-10-23)34(32,33)24-15-16-25(28-20-24)27-19-21-11-13-22(14-12-21)26(31)29-17-7-4-8-18-29/h3,5-6,9-16,20H,2,4,7-8,17-19H2,1H3,(H,27,28)
InChIKeyXDTITFGOQSFDDF-UHFFFAOYSA-N
XLogP4.53
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide
CID 112840794
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide
CID 60502755
N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 1100955
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55828070
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 60570329
N-[4-(azepane-1-carbonyl)phenyl]-N-ethyl-4-methylsulfanylbenzenesulfonamide
CID 28591584
(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588211
6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 167784135
N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31565674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide (CID 112798825) is N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(C(=O)N3CCCCC3)cc2)nc1.
What is the InChIKey of N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide?
The InChIKey is XDTITFGOQSFDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-2-30(23-9-5-3-6-10-23)34(32,33)24-15-16-25(28-20-24)27-19-21-11-13-22(14-12-21)26(31)29-17-7-4-8-18-29/h3,5-6,9-16,20H,2,4,7-8,17-19H2,1H3,(H,27,28).
What are the key properties of N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide?
N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide has a molecular weight of 478.62 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 112798825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).