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

C16H23Cl2N3O4S — CID 142627829

IUPACN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide
SMILESCCC(C)C(NS(C)(=O)=O)C(=O)NCC(=NOC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N3O4S/c1-5-10(2)15(21-26(4,23)24)16(22)19-9-14(20-25-3)12-7-6-11(17)8-13(12)18/h6-8,10,15,21H,5,9H2,1-4H3,(H,19,22)
InChIKeyAKCVBBLQHVXFHF-UHFFFAOYSA-N
MW424.35 g/mol
LogP2.42
Rot. Bonds9

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

N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide (PubChem CID 142627829) 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)-3-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide
PubChem CID142627829
Molecular FormulaC16H23Cl2N3O4S
Molecular Weight424.35 g/mol
Exact Mass423.08
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide
SMILESCCC(C)C(NS(C)(=O)=O)C(=O)NCC(=NOC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N3O4S/c1-5-10(2)15(21-26(4,23)24)16(22)19-9-14(20-25-3)12-7-6-11(17)8-13(12)18/h6-8,10,15,21H,5,9H2,1-4H3,(H,19,22)
InChIKeyAKCVBBLQHVXFHF-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide (CID 142627829) is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide is CCC(C)C(NS(C)(=O)=O)C(=O)NCC(=NOC)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide?
The InChIKey is AKCVBBLQHVXFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O4S/c1-5-10(2)15(21-26(4,23)24)16(22)19-9-14(20-25-3)12-7-6-11(17)8-13(12)18/h6-8,10,15,21H,5,9H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-methylpentanamide?
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-3-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)-3-methylpentanamide is sourced from PubChem (CID 142627829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).