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

C18H19Cl2N3O4S — CID 142627819

IUPACN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide
SMILESCON=C(CNC(=O)C(NS(C)(=O)=O)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O4S/c1-27-22-16(14-9-8-13(19)10-15(14)20)11-21-18(24)17(23-28(2,25)26)12-6-4-3-5-7-12/h3-10,17,23H,11H2,1-2H3,(H,21,24)
InChIKeyHGOWPGJVZNGMKF-UHFFFAOYSA-N
MW444.34 g/mol
LogP2.75
Rot. Bonds8

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

N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide (PubChem CID 142627819) has the molecular formula C18H19Cl2N3O4S and a molecular weight of 444.34 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide
PubChem CID142627819
Molecular FormulaC18H19Cl2N3O4S
Molecular Weight444.34 g/mol
Exact Mass443.05
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide
SMILESCON=C(CNC(=O)C(NS(C)(=O)=O)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O4S/c1-27-22-16(14-9-8-13(19)10-15(14)20)11-21-18(24)17(23-28(2,25)26)12-6-4-3-5-7-12/h3-10,17,23H,11H2,1-2H3,(H,21,24)
InChIKeyHGOWPGJVZNGMKF-UHFFFAOYSA-N
XLogP2.75
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 52.75
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'}

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Related Compounds

(2E)-3-(2,4-dichlorophenyl)-N-[2-[2-[[(2E)-3-(2,4-dichlorophenyl)-2-methoxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-methoxyiminopropanamide
CID 155556271
N-{(2s)-2-(3-Chlorophenyl)-2-[(Methylsulfonyl)amino]acetyl}-L-Phenylalanyl-N-[(2z)-2-Iminoethyl]glycinamide
CID 137348144
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-3-phenylpropanamide
CID 100206894
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 100256159
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 125046374
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-3-phenylpropanamide
CID 125047382
N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-3-phenylpropanamide
CID 133215011
N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133238088
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)-3-phenylpropanamide
CID 142627825
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide
CID 142627826

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide (CID 142627819) is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide is CON=C(CNC(=O)C(NS(C)(=O)=O)c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide?
The InChIKey is HGOWPGJVZNGMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4S/c1-27-22-16(14-9-8-13(19)10-15(14)20)11-21-18(24)17(23-28(2,25)26)12-6-4-3-5-7-12/h3-10,17,23H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide?
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide has a molecular weight of 444.34 g/mol, XLogP of 2.75, 8 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)-2-phenylacetamide is sourced from PubChem (CID 142627819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).