N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide

C19H25N3O3S2 — CID 2223138

IUPACN-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N3O3S2/c1-21(2)27(24,25)22(18-11-7-4-8-12-18)15-19(23)20-13-14-26-16-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3,(H,20,23)
InChIKeyDFXUZIRCIZCTBD-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.35
Rot. Bonds10

About N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide

N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 2223138) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
PubChem CID2223138
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N3O3S2/c1-21(2)27(24,25)22(18-11-7-4-8-12-18)15-19(23)20-13-14-26-16-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3,(H,20,23)
InChIKeyDFXUZIRCIZCTBD-UHFFFAOYSA-N
XLogP2.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.35
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-(benzylthio)-N-phenylacetamide
CID 584914
5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
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2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 1315348
N-(4-acetamidophenyl)-2-(N-ethyl-2-phenylethenesulfonamido)acetamide
CID 2546747
2-Benzylsulfanyl-N-p-tolyl-propionamide
CID 2888981
N-[2-(cyclohexylsulfanyl)ethyl]-N~2~-(methylsulfonyl)-N~2~-phenylglycinamide
CID 2930050
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
N-benzyl-2-(3-methylsulfanylanilino)propanamide
CID 4882997

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide (CID 2223138) is N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide is CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is DFXUZIRCIZCTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-21(2)27(24,25)22(18-11-7-4-8-12-18)15-19(23)20-13-14-26-16-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3,(H,20,23).
What are the key properties of N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 2223138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).