2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide

C21H20ClNO5S2 — CID 20962792

IUPAC2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)C(CNC(=O)COc2ccc(Cl)cc2)c2cccs2)cc1
InChIInChI=1S/C21H20ClNO5S2/c1-27-16-8-10-18(11-9-16)30(25,26)20(19-3-2-12-29-19)13-23-21(24)14-28-17-6-4-15(22)5-7-17/h2-12,20H,13-14H2,1H3,(H,23,24)
InChIKeyDUSWPMXYGWCDNS-UHFFFAOYSA-N
MW465.98 g/mol
LogP4.12
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide (PubChem CID 20962792) has the molecular formula C21H20ClNO5S2 and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
PubChem CID20962792
Molecular FormulaC21H20ClNO5S2
Molecular Weight465.98 g/mol
Exact Mass465.05
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)C(CNC(=O)COc2ccc(Cl)cc2)c2cccs2)cc1
InChIInChI=1S/C21H20ClNO5S2/c1-27-16-8-10-18(11-9-16)30(25,26)20(19-3-2-12-29-19)13-23-21(24)14-28-17-6-4-15(22)5-7-17/h2-12,20H,13-14H2,1H3,(H,23,24)
InChIKeyDUSWPMXYGWCDNS-UHFFFAOYSA-N
XLogP4.12
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Chlorophenoxy)-N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(thiophen-2-YL)ethyl]acetamide
CID 16028389
2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014389
2-phenoxy-N-(2-(thiophen-2-yl)-2-tosylethyl)acetamide
CID 16032086
N-[2-(4-chlorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]-2-phenoxyacetamide
CID 16032111
2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 3737085
2-(4-chlorophenoxy)-N-[2-(phenylthio)ethyl]acetamide
CID 2283889
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 16032291
2-(4-chlorophenoxy)-N-(1-thiophen-2-ylethyl)propanamide
CID 17523889
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2121143
2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 16012988
N-[2-(4-Fluoro-3-methylbenzenesulfonyl)-2-(thiophen-2-YL)ethyl]-2-phenoxyacetamide
CID 16028371
2-(4-chlorophenoxy)-N-[2-(4-fluorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]acetamide
CID 16032132

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide (CID 20962792) is 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide is COc1ccc(S(=O)(=O)C(CNC(=O)COc2ccc(Cl)cc2)c2cccs2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is DUSWPMXYGWCDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO5S2/c1-27-16-8-10-18(11-9-16)30(25,26)20(19-3-2-12-29-19)13-23-21(24)14-28-17-6-4-15(22)5-7-17/h2-12,20H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 465.98 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 20962792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).