6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide

C19H24N2O5S2 — CID 24578403

IUPAC6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
SMILESCCC(=O)c1ccc(OCC(O)CSc2ccc(S(=O)(=O)N(C)C)cn2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-4-18(23)14-5-7-16(8-6-14)26-12-15(22)13-27-19-10-9-17(11-20-19)28(24,25)21(2)3/h5-11,15,22H,4,12-13H2,1-3H3
InChIKeyRVIUNKUASOEQOA-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.46
Rot. Bonds10

About 6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide

6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 24578403) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
PubChem CID24578403
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
SMILESCCC(=O)c1ccc(OCC(O)CSc2ccc(S(=O)(=O)N(C)C)cn2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-4-18(23)14-5-7-16(8-6-14)26-12-15(22)13-27-19-10-9-17(11-20-19)28(24,25)21(2)3/h5-11,15,22H,4,12-13H2,1-3H3
InChIKeyRVIUNKUASOEQOA-UHFFFAOYSA-N
XLogP2.46
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-6-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 45352232
6-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]sulfanyl-N,N-diethylpyridine-3-sulfonamide
CID 24579792
1-[4-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]phenyl]propan-1-one
CID 24661190
1-[4-[2-hydroxy-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]propan-1-one
CID 51223206
6-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl-N,N-diethylpyridine-3-sulfonamide
CID 55503258
1-[4-[(2R)-2-hydroxy-3-pyridin-2-ylsulfanylpropoxy]phenyl]ethanone
CID 42108830
4-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 2236078
4-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-N,N-dimethylpiperazin-4-ium-1-sulfonamide
CID 2236079
1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol
CID 110897911
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7844343
1-(4-ethoxyphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 38969543
N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 7759924

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide (CID 24578403) is 6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide is CCC(=O)c1ccc(OCC(O)CSc2ccc(S(=O)(=O)N(C)C)cn2)cc1.
What is the InChIKey of 6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is RVIUNKUASOEQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-4-18(23)14-5-7-16(8-6-14)26-12-15(22)13-27-19-10-9-17(11-20-19)28(24,25)21(2)3/h5-11,15,22H,4,12-13H2,1-3H3.
What are the key properties of 6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide?
6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 424.54 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-(4-propanoylphenoxy)propyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 24578403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).