2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide

C20H23ClN2O3S — CID 108552761

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1cc(OCC(=O)NC2CCN(C(=O)c3cccs3)CC2)cc(C)c1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-13-10-16(11-14(2)19(13)21)26-12-18(24)22-15-5-7-23(8-6-15)20(25)17-4-3-9-27-17/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,24)
InChIKeyVRGKYZRFSTVQET-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.82
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108552761) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID108552761
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1cc(OCC(=O)NC2CCN(C(=O)c3cccs3)CC2)cc(C)c1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-13-10-16(11-14(2)19(13)21)26-12-18(24)22-15-5-7-23(8-6-15)20(25)17-4-3-9-27-17/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,24)
InChIKeyVRGKYZRFSTVQET-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552743
2-(2-ethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108557096
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108552732
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108552751
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 108552749
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide
CID 108552764
2-(4-ethoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108553957
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108560767
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108555517
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556384
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554700

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide (CID 108552761) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide is Cc1cc(OCC(=O)NC2CCN(C(=O)c3cccs3)CC2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is VRGKYZRFSTVQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-13-10-16(11-14(2)19(13)21)26-12-18(24)22-15-5-7-23(8-6-15)20(25)17-4-3-9-27-17/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 406.94 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108552761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).