N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide

C19H24N2O4S2 — CID 9470177

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H24N2O4S2/c1-5-25-17-11-8-15(12-18(17)27(23,24)21(3)4)20-19(22)13-26-16-9-6-14(2)7-10-16/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyAAXZAUHMHUTFBM-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.37
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 9470177) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID9470177
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H24N2O4S2/c1-5-25-17-11-8-15(12-18(17)27(23,24)21(3)4)20-19(22)13-26-16-9-6-14(2)7-10-16/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyAAXZAUHMHUTFBM-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 34072393
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)acetamide
CID 120666806
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 31743631
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 9470167
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062879
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide (CID 9470177) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2ccc(C)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is AAXZAUHMHUTFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-5-25-17-11-8-15(12-18(17)27(23,24)21(3)4)20-19(22)13-26-16-9-6-14(2)7-10-16/h6-12H,5,13H2,1-4H3,(H,20,22).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 408.55 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 9470177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).