N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide

C19H24ClN3O3S2 — CID 15991425

IUPACN-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H24ClN3O3S2/c1-22(2)28(25,26)23(18-9-4-3-5-10-18)14-19(24)21-11-12-27-15-16-7-6-8-17(20)13-16/h3-10,13H,11-12,14-15H2,1-2H3,(H,21,24)
InChIKeyRVNRQLHDHOHXHZ-UHFFFAOYSA-N
MW442.01 g/mol
LogP3.00
Rot. Bonds10

About N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide

N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 15991425) has the molecular formula C19H24ClN3O3S2 and a molecular weight of 442.01 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
PubChem CID15991425
Molecular FormulaC19H24ClN3O3S2
Molecular Weight442.01 g/mol
Exact Mass441.09
IUPAC NameN-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H24ClN3O3S2/c1-22(2)28(25,26)23(18-9-4-3-5-10-18)14-19(24)21-11-12-27-15-16-7-6-8-17(20)13-16/h3-10,13H,11-12,14-15H2,1-2H3,(H,21,24)
InChIKeyRVNRQLHDHOHXHZ-UHFFFAOYSA-N
XLogP3.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide (CID 15991425) is N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide is CN(C)S(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is RVNRQLHDHOHXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S2/c1-22(2)28(25,26)23(18-9-4-3-5-10-18)14-19(24)21-11-12-27-15-16-7-6-8-17(20)13-16/h3-10,13H,11-12,14-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide has a molecular weight of 442.01 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 15991425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).