2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C18H22N2O3S2 — CID 2616332

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-5-10-17(14(2)11-13)24-12-18(21)19-15-6-8-16(9-7-15)25(22,23)20(3)4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyUWIOJMFJGDHFFP-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.28
Rot. Bonds6

About 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 2616332) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID2616332
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-5-10-17(14(2)11-13)24-12-18(21)19-15-6-8-16(9-7-15)25(22,23)20(3)4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyUWIOJMFJGDHFFP-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2616464
2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide
CID 7925492
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 9457949
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide
CID 55892993
N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 2099003
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 2616332) is 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide is Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is UWIOJMFJGDHFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-5-10-17(14(2)11-13)24-12-18(21)19-15-6-8-16(9-7-15)25(22,23)20(3)4/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2616332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).