N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide

C19H23ClN2O4S2 — CID 2287010

IUPACN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S2/c1-26-18-10-6-5-9-17(18)22(28(2,24)25)13-19(23)21-11-12-27-14-15-7-3-4-8-16(15)20/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeySUFNTJUZFBLGQW-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.16
Rot. Bonds10

About N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide

N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 2287010) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID2287010
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S2/c1-26-18-10-6-5-9-17(18)22(28(2,24)25)13-19(23)21-11-12-27-14-15-7-3-4-8-16(15)20/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeySUFNTJUZFBLGQW-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide (CID 2287010) is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide is COc1ccccc1N(CC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is SUFNTJUZFBLGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-26-18-10-6-5-9-17(18)22(28(2,24)25)13-19(23)21-11-12-27-14-15-7-3-4-8-16(15)20/h3-10H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 442.99 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2287010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).