2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide

C17H15ClI2N2O2S — CID 126215637

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide
SMILESCCOc1c(I)cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)cc1I
InChIInChI=1S/C17H15ClI2N2O2S/c1-2-24-17-14(19)7-11(8-15(17)20)9-21-22-16(23)10-25-13-5-3-12(18)4-6-13/h3-9H,2,10H2,1H3,(H,22,23)/b21-9-
InChIKeyGXDYIQRNZGFLDA-NKVSQWTQSA-N
MW600.65 g/mol
LogP5.19
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide (PubChem CID 126215637) has the molecular formula C17H15ClI2N2O2S and a molecular weight of 600.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide
PubChem CID126215637
Molecular FormulaC17H15ClI2N2O2S
Molecular Weight600.65 g/mol
Exact Mass599.86
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide
SMILESCCOc1c(I)cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)cc1I
InChIInChI=1S/C17H15ClI2N2O2S/c1-2-24-17-14(19)7-11(8-15(17)20)9-21-22-16(23)10-25-13-5-3-12(18)4-6-13/h3-9H,2,10H2,1H3,(H,22,23)/b21-9-
InChIKeyGXDYIQRNZGFLDA-NKVSQWTQSA-N
XLogP5.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.65
LogP ≤ 55.19
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

methyl 2-[4-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 126216386
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(3-fluorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]acetamide
CID 126207640
ethyl 2-[2,6-dibromo-4-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126206847
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 136726879
2-(4-chlorophenyl)sulfanyl-N-[(E)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 126214868
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 126242543
methyl 4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 1153879
N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126205431
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylideneamino]acetamide
CID 126223270
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]acetamide
CID 126224801

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide (CID 126215637) is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide is CCOc1c(I)cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)cc1I.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide?
The InChIKey is GXDYIQRNZGFLDA-NKVSQWTQSA-N. The full InChI is InChI=1S/C17H15ClI2N2O2S/c1-2-24-17-14(19)7-11(8-15(17)20)9-21-22-16(23)10-25-13-5-3-12(18)4-6-13/h3-9H,2,10H2,1H3,(H,22,23)/b21-9-.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide has a molecular weight of 600.65 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 126215637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).