2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide

C22H19Cl2NO4S2 — CID 10278412

IUPAC2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide
SMILESCS(=O)(=O)NC(=O)C(Sc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C22H19Cl2NO4S2/c1-31(27,28)25-22(26)21(15-6-3-2-4-7-15)30-17-12-10-16(11-13-17)29-14-18-19(23)8-5-9-20(18)24/h2-13,21H,14H2,1H3,(H,25,26)
InChIKeyRYBLSKIAMAVIMN-UHFFFAOYSA-N
MW496.44 g/mol
LogP5.48
Rot. Bonds8

About 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide

2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide (PubChem CID 10278412) has the molecular formula C22H19Cl2NO4S2 and a molecular weight of 496.44 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide
PubChem CID10278412
Molecular FormulaC22H19Cl2NO4S2
Molecular Weight496.44 g/mol
Exact Mass495.01
IUPAC Name2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide
SMILESCS(=O)(=O)NC(=O)C(Sc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C22H19Cl2NO4S2/c1-31(27,28)25-22(26)21(15-6-3-2-4-7-15)30-17-12-10-16(11-13-17)29-14-18-19(23)8-5-9-20(18)24/h2-13,21H,14H2,1H3,(H,25,26)
InChIKeyRYBLSKIAMAVIMN-UHFFFAOYSA-N
XLogP5.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.44
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-2-phenylacetyl]amino]cyclohexane-1-carboxylic acid
CID 10280608
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-(2H-tetrazol-5-yl)-2-thiophen-3-ylacetamide
CID 10184981
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanylpropanoylamino]cyclohexane-1-carboxylic acid
CID 142113368
2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
CID 2905293
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide
CID 10268288
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
3-chloro-N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21167187
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-chloro-2-methylphenyl)-2-phenylacetamide
CID 21167685
N-(4-butoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21169729
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904145

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide (CID 10278412) is 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide is CS(=O)(=O)NC(=O)C(Sc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide?
The InChIKey is RYBLSKIAMAVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO4S2/c1-31(27,28)25-22(26)21(15-6-3-2-4-7-15)30-17-12-10-16(11-13-17)29-14-18-19(23)8-5-9-20(18)24/h2-13,21H,14H2,1H3,(H,25,26).
What are the key properties of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide?
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide has a molecular weight of 496.44 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide is sourced from PubChem (CID 10278412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).