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

C16H23Cl2N3O4S — CID 142627826

IUPACN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide
SMILESCON=C(CNC(=O)C(CC(C)C)NS(C)(=O)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N3O4S/c1-10(2)7-14(21-26(4,23)24)16(22)19-9-15(20-25-3)12-6-5-11(17)8-13(12)18/h5-6,8,10,14,21H,7,9H2,1-4H3,(H,19,22)
InChIKeyVTNKRRMZEWZWJR-UHFFFAOYSA-N
MW424.35 g/mol
LogP2.42
Rot. Bonds9

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

N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide (PubChem CID 142627826) has the molecular formula C16H23Cl2N3O4S and a molecular weight of 424.35 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide
PubChem CID142627826
Molecular FormulaC16H23Cl2N3O4S
Molecular Weight424.35 g/mol
Exact Mass423.08
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide
SMILESCON=C(CNC(=O)C(CC(C)C)NS(C)(=O)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N3O4S/c1-10(2)7-14(21-26(4,23)24)16(22)19-9-15(20-25-3)12-6-5-11(17)8-13(12)18/h5-6,8,10,14,21H,7,9H2,1-4H3,(H,19,22)
InChIKeyVTNKRRMZEWZWJR-UHFFFAOYSA-N
XLogP2.42
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 52.42
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

N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)pentanethioamide
CID 142627828
N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide
CID 142628080
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2-[[(2E)-2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-methylsulfonylamino]-3-hydroxybutanamide
CID 142637549
2,4-dichloro-N-[1-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 55328495
2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60602985
2,4-dichloro-N-[1-[(2-chlorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 18270630
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2,4-dichloro-N-[1-[(4-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 42987197
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide (CID 142627826) is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide is CON=C(CNC(=O)C(CC(C)C)NS(C)(=O)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide?
The InChIKey is VTNKRRMZEWZWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O4S/c1-10(2)7-14(21-26(4,23)24)16(22)19-9-15(20-25-3)12-6-5-11(17)8-13(12)18/h5-6,8,10,14,21H,7,9H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide?
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide has a molecular weight of 424.35 g/mol, XLogP of 2.42, 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)-4-methylpentanamide is sourced from PubChem (CID 142627826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).