2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide

C19H22Cl2N2O4S — CID 30246318

IUPAC2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22Cl2N2O4S/c1-27-16-8-5-14(6-9-16)4-3-11-22-19(24)13-23(28(2,25)26)18-10-7-15(20)12-17(18)21/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyMUPWCKMOHBIJKV-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.52
Rot. Bonds9

About 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide

2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide (PubChem CID 30246318) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
PubChem CID30246318
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22Cl2N2O4S/c1-27-16-8-5-14(6-9-16)4-3-11-22-19(24)13-23(28(2,25)26)18-10-7-15(20)12-17(18)21/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyMUPWCKMOHBIJKV-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]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

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30209868
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2229213
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30246310
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30228923
N-[3-(3-methoxyphenyl)propyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30245413
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30209863
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30220067
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30242386
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
N-[3-(4-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226858
2-[[2-(2,4-dichloro-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132684720

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide (CID 30246318) is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide is COc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is MUPWCKMOHBIJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-27-16-8-5-14(6-9-16)4-3-11-22-19(24)13-23(28(2,25)26)18-10-7-15(20)12-17(18)21/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide?
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 445.37 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30246318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).