N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide

C21H24N2O4S — CID 108554683

IUPACN-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)c2ccccc2S)CC1
InChIInChI=1S/C21H24N2O4S/c1-14(27-17-8-6-16(24)7-9-17)21(26)23-12-10-15(11-13-23)22-20(25)18-4-2-3-5-19(18)28/h2-9,14-15,24,28H,10-13H2,1H3,(H,22,25)
InChIKeyQEONCHBWCLAZIW-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.87
Rot. Bonds5

About N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide

N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide (PubChem CID 108554683) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
PubChem CID108554683
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)c2ccccc2S)CC1
InChIInChI=1S/C21H24N2O4S/c1-14(27-17-8-6-16(24)7-9-17)21(26)23-12-10-15(11-13-23)22-20(25)18-4-2-3-5-19(18)28/h2-9,14-15,24,28H,10-13H2,1H3,(H,22,25)
InChIKeyQEONCHBWCLAZIW-UHFFFAOYSA-N
XLogP2.87
TPSA78.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550032
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567
3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557466
3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305
3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108553820
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558175
2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108549664
2-methyl-N-[1-[2-(3-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 55796186
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553423
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614
2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide?
The IUPAC name of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide (CID 108554683) is N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide?
The canonical SMILES for N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide is CC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)c2ccccc2S)CC1.
What is the InChIKey of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide?
The InChIKey is QEONCHBWCLAZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14(27-17-8-6-16(24)7-9-17)21(26)23-12-10-15(11-13-23)22-20(25)18-4-2-3-5-19(18)28/h2-9,14-15,24,28H,10-13H2,1H3,(H,22,25).
What are the key properties of N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide?
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide is sourced from PubChem (CID 108554683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).