N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide

C19H20N2O5S2 — CID 2812612

IUPACN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCOc1ccc(OCC(O)CNS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1
InChIInChI=1S/C19H20N2O5S2/c1-25-15-5-7-16(8-6-15)26-13-14(22)12-21-28(23,24)19-10-9-18(27-19)17-4-2-3-11-20-17/h2-11,14,21-22H,12-13H2,1H3
InChIKeyWZNJEKBSJALXQK-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.54
Rot. Bonds9

About N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide

N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 2812612) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID2812612
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCOc1ccc(OCC(O)CNS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1
InChIInChI=1S/C19H20N2O5S2/c1-25-15-5-7-16(8-6-15)26-13-14(22)12-21-28(23,24)19-10-9-18(27-19)17-4-2-3-11-20-17/h2-11,14,21-22H,12-13H2,1H3
InChIKeyWZNJEKBSJALXQK-UHFFFAOYSA-N
XLogP2.54
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-2-sulfonamide
CID 6930511
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
(4-methoxyphenyl) 5-pyridin-2-ylthiophene-2-sulfonate
CID 2820661
2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide
CID 6975848
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6975865
methyl (2S)-3-(4-methoxyphenyl)-2-[4-[(1S)-1-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]ethyl]triazol-1-yl]propanoate
CID 176883525
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
2-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 59693441
2-[5-(trifluoromethylsulfonyl)thiophen-2-yl]pyridine
CID 70975076
5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide
CID 2738724

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide (CID 2812612) is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide is COc1ccc(OCC(O)CNS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is WZNJEKBSJALXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c1-25-15-5-7-16(8-6-15)26-13-14(22)12-21-28(23,24)19-10-9-18(27-19)17-4-2-3-11-20-17/h2-11,14,21-22H,12-13H2,1H3.
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 420.51 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2812612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).