2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide

C19H23ClN2O4S2 — CID 31743631

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H23ClN2O4S2/c1-4-26-17-10-9-16(11-18(17)28(24,25)22(2)3)21-19(23)13-27-12-14-5-7-15(20)8-6-14/h5-11H,4,12-13H2,1-3H3,(H,21,23)
InChIKeyGOGSWVJVHIYOLW-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.86
Rot. Bonds9

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide (PubChem CID 31743631) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
PubChem CID31743631
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H23ClN2O4S2/c1-4-26-17-10-9-16(11-18(17)28(24,25)22(2)3)21-19(23)13-27-12-14-5-7-15(20)8-6-14/h5-11H,4,12-13H2,1-3H3,(H,21,23)
InChIKeyGOGSWVJVHIYOLW-UHFFFAOYSA-N
XLogP3.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 34072393
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide
CID 17478688
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102555
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 9470167
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide (CID 31743631) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide is CCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The InChIKey is GOGSWVJVHIYOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-4-26-17-10-9-16(11-18(17)28(24,25)22(2)3)21-19(23)13-27-12-14-5-7-15(20)8-6-14/h5-11H,4,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide has a molecular weight of 442.99 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide is sourced from PubChem (CID 31743631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).