6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide

C26H36N2O6S — CID 161138339

IUPAC6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(OCC3CCOCC3)c(C(C)=O)n2)c(CCC(O)CC)c1
InChIInChI=1S/C26H36N2O6S/c1-4-19-6-9-23(21(16-19)7-8-22(30)5-2)28-35(31,32)25-11-10-24(26(27-25)18(3)29)34-17-20-12-14-33-15-13-20/h6,9-11,16,20,22,28,30H,4-5,7-8,12-15,17H2,1-3H3
InChIKeyDJOOWPBYXKPJAY-UHFFFAOYSA-N
MW504.65 g/mol
LogP4.16
Rot. Bonds12

About 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide

6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide (PubChem CID 161138339) has the molecular formula C26H36N2O6S and a molecular weight of 504.65 g/mol. Its IUPAC name is 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide
PubChem CID161138339
Molecular FormulaC26H36N2O6S
Molecular Weight504.65 g/mol
Exact Mass504.23
IUPAC Name6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(OCC3CCOCC3)c(C(C)=O)n2)c(CCC(O)CC)c1
InChIInChI=1S/C26H36N2O6S/c1-4-19-6-9-23(21(16-19)7-8-22(30)5-2)28-35(31,32)25-11-10-24(26(27-25)18(3)29)34-17-20-12-14-33-15-13-20/h6,9-11,16,20,22,28,30H,4-5,7-8,12-15,17H2,1-3H3
InChIKeyDJOOWPBYXKPJAY-UHFFFAOYSA-N
XLogP4.16
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.65
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide with MolForge

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Related Compounds

methyl 6-chlorosulfonyl-3-(oxan-4-ylmethoxy)pyridine-2-carboxylate
CID 138518286
[5-ethyl-3-(3-hydroxypentyl)-2-pyridinyl]sulfamoyl 3-methyl-2-(oxan-4-ylmethoxy)benzoate
CID 175375280
4-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide;4-acetyl-5-(oxan-4-ylmethoxy)pyridine-2-sulfonyl chloride;1-(2-amino-5-ethylphenyl)pentan-3-ol;1-[2-benzylsulfanyl-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;2-bromo-5-fluoropyridine-4-carboxylic acid;2-bromo-5-(oxan-4-ylmethoxy)pyridine-4-carboxylic acid;1-[2-bromo-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;1-[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]ethanone;[2-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-(oxan-4-ylmethoxy)-4-pyridinyl]methanol;methane;methanol;oxan-4-ylmethanol;oxolane;phenylmethanethiol;thionyl dichloride
CID 159456541
(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl-[2-(oxan-4-ylmethoxy)phenyl]methanol
CID 175740813
3-acetyl-N-[2-[(3R)-3-cyclopropyl-3-hydroxypropyl]-4-ethylphenyl]-4-hydroxybenzenesulfonamide;3-acetyl-4-hydroxybenzenesulfonyl chloride;(1R)-3-(2-amino-5-ethylphenyl)-1-cyclopropylpropan-1-ol;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone;1-[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]ethanone;[5-[[(2S)-2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;methane;oxan-4-ylmethyl 4-methylbenzenesulfonate;oxolane
CID 159655748
5-[(4-iodo-2-methylphenyl)sulfamoyl]-2-(oxan-4-ylmethoxy)benzoic acid
CID 135308317
methyl 5-[[(2R)-2,6-diethyl-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)benzoate
CID 155021940
methyl 5-chlorosulfonyl-2-(oxan-4-ylmethoxy)benzoate
CID 135352785
4-[(1-ethenylnaphthalen-2-yl)oxymethyl]oxane
CID 176513410
1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 62386971
methyl 5-[(6-ethyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzoate
CID 138518307
[5-[(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol
CID 138518109

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide?
The IUPAC name of 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide (CID 161138339) is 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide.
What is the SMILES notation for 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide?
The canonical SMILES for 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(OCC3CCOCC3)c(C(C)=O)n2)c(CCC(O)CC)c1.
What is the InChIKey of 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide?
The InChIKey is DJOOWPBYXKPJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O6S/c1-4-19-6-9-23(21(16-19)7-8-22(30)5-2)28-35(31,32)25-11-10-24(26(27-25)18(3)29)34-17-20-12-14-33-15-13-20/h6,9-11,16,20,22,28,30H,4-5,7-8,12-15,17H2,1-3H3.
What are the key properties of 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide?
6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide has a molecular weight of 504.65 g/mol, XLogP of 4.16, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[4-ethyl-2-(3-hydroxypentyl)phenyl]-5-(oxan-4-ylmethoxy)pyridine-2-sulfonamide is sourced from PubChem (CID 161138339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).