N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide

C20H25N3O4S — CID 70214048

IUPACN-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide
SMILESCCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2cccnc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-3-4-7-19(24)22-14-12-16-8-10-18(11-9-16)28(26,27)23-20(25)17-6-5-13-21-15-17/h5-6,8-11,13,15H,2-4,7,12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyUWIYMNCGTZPSDH-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.44
Rot. Bonds10

About N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide

N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide (PubChem CID 70214048) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide
PubChem CID70214048
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide
SMILESCCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2cccnc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-3-4-7-19(24)22-14-12-16-8-10-18(11-9-16)28(26,27)23-20(25)17-6-5-13-21-15-17/h5-6,8-11,13,15H,2-4,7,12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyUWIYMNCGTZPSDH-UHFFFAOYSA-N
XLogP2.44
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
CID 110839438
[5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] pentyl carbonate
CID 67749377
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928233
4-[3-(hexanoylamino)propyl]benzenesulfonyl chloride
CID 60906285
N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide
CID 21389065
[(2R)-butan-2-yl] 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54143030
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide (CID 70214048) is N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide is CCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide?
The InChIKey is UWIYMNCGTZPSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-2-3-4-7-19(24)22-14-12-16-8-10-18(11-9-16)28(26,27)23-20(25)17-6-5-13-21-15-17/h5-6,8-11,13,15H,2-4,7,12,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide?
N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 70214048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).