2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide

C17H18Cl2N2O4S2 — CID 108561076

IUPAC2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H18Cl2N2O4S2/c18-12-3-4-15(14(19)10-12)25-11-16(22)20-13-5-7-21(8-6-13)27(23,24)17-2-1-9-26-17/h1-4,9-10,13H,5-8,11H2,(H,20,22)
InChIKeyNFWXFZXLMDRHFQ-UHFFFAOYSA-N
MW449.38 g/mol
LogP3.40
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide (PubChem CID 108561076) has the molecular formula C17H18Cl2N2O4S2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
PubChem CID108561076
Molecular FormulaC17H18Cl2N2O4S2
Molecular Weight449.38 g/mol
Exact Mass448.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H18Cl2N2O4S2/c18-12-3-4-15(14(19)10-12)25-11-16(22)20-13-5-7-21(8-6-13)27(23,24)17-2-1-9-26-17/h1-4,9-10,13H,5-8,11H2,(H,20,22)
InChIKeyNFWXFZXLMDRHFQ-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide
CID 27241017
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47910189
2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 108560976
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
N-[1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 41247049
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
N-(1-benzylpiperidin-4-yl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 53031675

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide (CID 108561076) is 2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is NFWXFZXLMDRHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S2/c18-12-3-4-15(14(19)10-12)25-11-16(22)20-13-5-7-21(8-6-13)27(23,24)17-2-1-9-26-17/h1-4,9-10,13H,5-8,11H2,(H,20,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 449.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 108561076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).