N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide

C19H21Cl2N3O4S — CID 142627825

IUPACN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide
SMILESCON=C(CNC(=O)C(Cc1ccccc1)NS(C)(=O)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N3O4S/c1-28-23-18(15-9-8-14(20)11-16(15)21)12-22-19(25)17(24-29(2,26)27)10-13-6-4-3-5-7-13/h3-9,11,17,24H,10,12H2,1-2H3,(H,22,25)
InChIKeyAVXZRBPFIZVGRF-UHFFFAOYSA-N
MW458.37 g/mol
LogP2.62
Rot. Bonds9

About N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide

N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide (PubChem CID 142627825) has the molecular formula C19H21Cl2N3O4S and a molecular weight of 458.37 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide
PubChem CID142627825
Molecular FormulaC19H21Cl2N3O4S
Molecular Weight458.37 g/mol
Exact Mass457.06
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide
SMILESCON=C(CNC(=O)C(Cc1ccccc1)NS(C)(=O)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N3O4S/c1-28-23-18(15-9-8-14(20)11-16(15)21)12-22-19(25)17(24-29(2,26)27)10-13-6-4-3-5-7-13/h3-9,11,17,24H,10,12H2,1-2H3,(H,22,25)
InChIKeyAVXZRBPFIZVGRF-UHFFFAOYSA-N
XLogP2.62
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide 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

(2E)-3-(2,4-dichlorophenyl)-N-[2-[2-[[(2E)-3-(2,4-dichlorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
CID 155528027
(2E)-3-(2,4-dichlorophenyl)-N-[2-[2-[[(2E)-3-(2,4-dichlorophenyl)-2-methoxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-methoxyiminopropanamide
CID 155556271
N-butyl-4-(2-chlorophenyl)-3-(4-chlorophenyl)-2,3-dihydroazete-2-carboxamide
CID 134924536
(3S,6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one
CID 126641973
(3S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one
CID 126652484
(6S)-3,6-bis[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazin-2-one
CID 126669797
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide
CID 142627819
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 142627821
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide
CID 142627822
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide
CID 142627826
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide
CID 142627827
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide
CID 142627829

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide (CID 142627825) is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide is CON=C(CNC(=O)C(Cc1ccccc1)NS(C)(=O)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide?
The InChIKey is AVXZRBPFIZVGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S/c1-28-23-18(15-9-8-14(20)11-16(15)21)12-22-19(25)17(24-29(2,26)27)10-13-6-4-3-5-7-13/h3-9,11,17,24H,10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide?
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide has a molecular weight of 458.37 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-phenylpropanamide is sourced from PubChem (CID 142627825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).