2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide

C19H24N2O3S2 — CID 43000872

IUPAC2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSCc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C19H24N2O3S2/c1-15(17-9-5-4-6-10-17)20-19(22)14-25-13-16-8-7-11-18(12-16)26(23,24)21(2)3/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyONAWLPZFLCOOFZ-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.05
Rot. Bonds8

About 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide

2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 43000872) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID43000872
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSCc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C19H24N2O3S2/c1-15(17-9-5-4-6-10-17)20-19(22)14-25-13-16-8-7-11-18(12-16)26(23,24)21(2)3/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyONAWLPZFLCOOFZ-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7377224
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 43000871
2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856658
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213542
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methyl-N-phenylpropanamide
CID 56807991
methyl 2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetate
CID 18078994
2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide
CID 55892993
3-[(3-chlorophenyl)methylsulfanyl]-N-(1-phenylethyl)propanamide
CID 42889731
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 132651277
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524366
N,N-dimethyl-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenesulfonamide
CID 35064015
N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide (CID 43000872) is 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CSCc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1.
What is the InChIKey of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is ONAWLPZFLCOOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-15(17-9-5-4-6-10-17)20-19(22)14-25-13-16-8-7-11-18(12-16)26(23,24)21(2)3/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide?
2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 392.55 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 43000872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).