N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide

C21H28N2O3S2 — CID 39288353

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSCCCc2ccccc2)c1C
InChIInChI=1S/C21H28N2O3S2/c1-16-13-19(28(25,26)23(3)4)14-20(17(16)2)22-21(24)15-27-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3,(H,22,24)
InChIKeyMFKKXKRNYWFHJQ-UHFFFAOYSA-N
MW420.60 g/mol
LogP3.86
Rot. Bonds9

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide (PubChem CID 39288353) has the molecular formula C21H28N2O3S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide
PubChem CID39288353
Molecular FormulaC21H28N2O3S2
Molecular Weight420.60 g/mol
Exact Mass420.15
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSCCCc2ccccc2)c1C
InChIInChI=1S/C21H28N2O3S2/c1-16-13-19(28(25,26)23(3)4)14-20(17(16)2)22-21(24)15-27-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3,(H,22,24)
InChIKeyMFKKXKRNYWFHJQ-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 34079032
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24602003
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581577
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 27832732
1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea
CID 86986671
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-methyl-2-phenylpentanamide
CID 55396360
1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 16564341
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38255563
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 24514218

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide (CID 39288353) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSCCCc2ccccc2)c1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide?
The InChIKey is MFKKXKRNYWFHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S2/c1-16-13-19(28(25,26)23(3)4)14-20(17(16)2)22-21(24)15-27-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3,(H,22,24).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide has a molecular weight of 420.60 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(3-phenylpropylsulfanyl)acetamide is sourced from PubChem (CID 39288353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).