N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide

C19H27NO4S2 — CID 122160835

IUPACN-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NCCC(CCO)c2ccsc2)cc1
InChIInChI=1S/C19H27NO4S2/c1-15(2)13-24-18-3-5-19(6-4-18)26(22,23)20-10-7-16(8-11-21)17-9-12-25-14-17/h3-6,9,12,14-16,20-21H,7-8,10-11,13H2,1-2H3
InChIKeyRCBLFTVXMZKSLH-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.62
Rot. Bonds11

About N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide

N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 122160835) has the molecular formula C19H27NO4S2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID122160835
Molecular FormulaC19H27NO4S2
Molecular Weight397.56 g/mol
Exact Mass397.14
IUPAC NameN-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NCCC(CCO)c2ccsc2)cc1
InChIInChI=1S/C19H27NO4S2/c1-15(2)13-24-18-3-5-19(6-4-18)26(22,23)20-10-7-16(8-11-21)17-9-12-25-14-17/h3-6,9,12,14-16,20-21H,7-8,10-11,13H2,1-2H3
InChIKeyRCBLFTVXMZKSLH-UHFFFAOYSA-N
XLogP3.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide
CID 122160833
4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide
CID 126854037
4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
CID 99981391
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 29237280
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 115755254
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
N-[(3S)-5-hydroxy-3-phenylpentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99872886
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981
(2S)-2-hydroxy-3-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 104935849

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide (CID 122160835) is N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide is CC(C)COc1ccc(S(=O)(=O)NCCC(CCO)c2ccsc2)cc1.
What is the InChIKey of N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is RCBLFTVXMZKSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S2/c1-15(2)13-24-18-3-5-19(6-4-18)26(22,23)20-10-7-16(8-11-21)17-9-12-25-14-17/h3-6,9,12,14-16,20-21H,7-8,10-11,13H2,1-2H3.
What are the key properties of N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide?
N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 397.56 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 122160835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).