N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide

C19H24N2O3S2 — CID 3142630

IUPACN-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S2/c1-16-8-6-7-11-18(16)21(26(2,23)24)14-19(22)20-12-13-25-15-17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyXUYCPBIXQKDYNX-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.81
Rot. Bonds9

About N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 3142630) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID3142630
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S2/c1-16-8-6-7-11-18(16)21(26(2,23)24)14-19(22)20-12-13-25-15-17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyXUYCPBIXQKDYNX-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 3142630) is N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide is Cc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is XUYCPBIXQKDYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-16-8-6-7-11-18(16)21(26(2,23)24)14-19(22)20-12-13-25-15-17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3,(H,20,22).
What are the key properties of N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 392.55 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3142630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).