N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C25H26Cl2N2O4S2 — CID 43880679

IUPACN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)NCCSCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H26Cl2N2O4S2/c1-18-6-10-23(11-7-18)35(31,32)29(21-4-3-5-22(15-21)33-2)16-25(30)28-12-13-34-17-19-8-9-20(26)14-24(19)27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,30)
InChIKeyHJPCYNWZYZOLBS-UHFFFAOYSA-N
MW553.53 g/mol
LogP5.56
Rot. Bonds11

About N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43880679) has the molecular formula C25H26Cl2N2O4S2 and a molecular weight of 553.53 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43880679
Molecular FormulaC25H26Cl2N2O4S2
Molecular Weight553.53 g/mol
Exact Mass552.07
IUPAC NameN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)NCCSCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H26Cl2N2O4S2/c1-18-6-10-23(11-7-18)35(31,32)29(21-4-3-5-22(15-21)33-2)16-25(30)28-12-13-34-17-19-8-9-20(26)14-24(19)27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,30)
InChIKeyHJPCYNWZYZOLBS-UHFFFAOYSA-N
XLogP5.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881238
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 51344061
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880909
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 43899692
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 17052640
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126033568
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2896407
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 3962590
N-(2-tert-butylsulfanylethyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2290295
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126031312
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 43881370
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 51344673

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43880679) is N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1cccc(N(CC(=O)NCCSCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is HJPCYNWZYZOLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O4S2/c1-18-6-10-23(11-7-18)35(31,32)29(21-4-3-5-22(15-21)33-2)16-25(30)28-12-13-34-17-19-8-9-20(26)14-24(19)27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,30).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 553.53 g/mol, XLogP of 5.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43880679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).