N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide

C18H20IN3O3S — CID 43879610

IUPACN-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESC/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1cccc(I)c1
InChIInChI=1S/C18H20IN3O3S/c1-13-6-4-9-17(10-13)22(26(3,24)25)12-18(23)21-20-14(2)15-7-5-8-16(19)11-15/h4-11H,12H2,1-3H3,(H,21,23)/b20-14+
InChIKeyLDUBRWNMQDGWSF-XSFVSMFZSA-N
MW485.35 g/mol
LogP2.91
Rot. Bonds6

About N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 43879610) has the molecular formula C18H20IN3O3S and a molecular weight of 485.35 g/mol. Its IUPAC name is N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID43879610
Molecular FormulaC18H20IN3O3S
Molecular Weight485.35 g/mol
Exact Mass485.03
IUPAC NameN-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESC/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1cccc(I)c1
InChIInChI=1S/C18H20IN3O3S/c1-13-6-4-9-17(10-13)22(26(3,24)25)12-18(23)21-20-14(2)15-7-5-8-16(19)11-15/h4-11H,12H2,1-3H3,(H,21,23)/b20-14+
InChIKeyLDUBRWNMQDGWSF-XSFVSMFZSA-N
XLogP2.91
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879603
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]acetamide
CID 126030461
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589076
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589050
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 126133464
N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 3590974
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide
CID 3693486
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide
CID 43878752
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126033899
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126032064
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589040

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 43879610) is N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide is C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1cccc(I)c1.
What is the InChIKey of N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is LDUBRWNMQDGWSF-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H20IN3O3S/c1-13-6-4-9-17(10-13)22(26(3,24)25)12-18(23)21-20-14(2)15-7-5-8-16(19)11-15/h4-11H,12H2,1-3H3,(H,21,23)/b20-14+.
What are the key properties of N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 485.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 43879610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).