N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide

C19H24ClN3O3S2 — CID 2975928

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H24ClN3O3S2/c1-22(2)28(25,26)23(18-6-4-3-5-7-18)14-19(24)21-12-13-27-15-16-8-10-17(20)11-9-16/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyDBAUJIASBCDHJW-UHFFFAOYSA-N
MW442.01 g/mol
LogP3.00
Rot. Bonds10

About N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 2975928) has the molecular formula C19H24ClN3O3S2 and a molecular weight of 442.01 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
PubChem CID2975928
Molecular FormulaC19H24ClN3O3S2
Molecular Weight442.01 g/mol
Exact Mass441.09
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H24ClN3O3S2/c1-22(2)28(25,26)23(18-6-4-3-5-7-18)14-19(24)21-12-13-27-15-16-8-10-17(20)11-9-16/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyDBAUJIASBCDHJW-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'}

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Related Compounds

2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2,6-difluorophenyl)acetamide
CID 2210370
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 894235
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542
3-Benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione
CID 2910124
2-[(5-Chloro-2-methyl-phenyl)-methanesulfonyl-amino]-N-cyclohexyl-acetamide
CID 647018
N~1~-(3-chloro-2-methylphenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1287742
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314080
N-(2-benzylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2223138
2-[2-chloro(methylsulfonyl)-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
CID 2264446
N-[2-(benzylsulfanyl)ethyl]-N~2~-[2-chloro-5-(trifluoromethyl)phenyl]-N~2~-(methanesulfonyl)glycinamide
CID 2280169
N~1~-{2-[(3-chlorobenzyl)thio]ethyl}-N~2~-(methylsulfonyl)-N~2~-phenylalaninamide
CID 2910977
N-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}ethyl)-N~2~-(dimethylsulfamoyl)-N~2~-phenylglycinamide
CID 2977292

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide (CID 2975928) is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide is CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is DBAUJIASBCDHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S2/c1-22(2)28(25,26)23(18-6-4-3-5-7-18)14-19(24)21-12-13-27-15-16-8-10-17(20)11-9-16/h3-11H,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
N-[2-[(4-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-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 2975928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).