2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide

C24H24Cl2N2O3S2 — CID 51343695

IUPAC2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)NCCSCc1cccc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24Cl2N2O3S2/c1-18-22(26)11-6-12-23(18)28(33(30,31)21-9-3-2-4-10-21)16-24(29)27-13-14-32-17-19-7-5-8-20(25)15-19/h2-12,15H,13-14,16-17H2,1H3,(H,27,29)
InChIKeyZFSFRJAAYTUTPG-UHFFFAOYSA-N
MW523.51 g/mol
LogP5.55
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide

2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 51343695) has the molecular formula C24H24Cl2N2O3S2 and a molecular weight of 523.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID51343695
Molecular FormulaC24H24Cl2N2O3S2
Molecular Weight523.51 g/mol
Exact Mass522.06
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)NCCSCc1cccc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24Cl2N2O3S2/c1-18-22(26)11-6-12-23(18)28(33(30,31)21-9-3-2-4-10-21)16-24(29)27-13-14-32-17-19-7-5-8-20(25)15-19/h2-12,15H,13-14,16-17H2,1H3,(H,27,29)
InChIKeyZFSFRJAAYTUTPG-UHFFFAOYSA-N
XLogP5.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.51
LogP ≤ 55.55
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-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 51343696
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 51343407
N-(3-benzylsulfanylpropyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30216838
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 43882139
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126411723
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 43894911
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 3552584
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 2899413
2-(2-chloro-N-methylsulfonylanilino)-N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30219561
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 51342896
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(2-benzylsulfanylethyl)acetamide
CID 3729439
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 43892382

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide (CID 51343695) is 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide is Cc1c(Cl)cccc1N(CC(=O)NCCSCc1cccc(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is ZFSFRJAAYTUTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3S2/c1-18-22(26)11-6-12-23(18)28(33(30,31)21-9-3-2-4-10-21)16-24(29)27-13-14-32-17-19-7-5-8-20(25)15-19/h2-12,15H,13-14,16-17H2,1H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide?
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 523.51 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 51343695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).