4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C20H24N4O5S — CID 43948470

IUPAC4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H24N4O5S/c1-4-29-18-8-6-5-7-16(18)13-22-23-19(25)14-21-20(26)15-9-11-17(12-10-15)30(27,28)24(2)3/h5-13H,4,14H2,1-3H3,(H,21,26)(H,23,25)/b22-13+
InChIKeyPLRKLIPIAGSCKL-LPYMAVHISA-N
MW432.50 g/mol
LogP1.22
Rot. Bonds9

About 4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 43948470) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID43948470
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H24N4O5S/c1-4-29-18-8-6-5-7-16(18)13-22-23-19(25)14-21-20(26)15-9-11-17(12-10-15)30(27,28)24(2)3/h5-13H,4,14H2,1-3H3,(H,21,26)(H,23,25)/b22-13+
InChIKeyPLRKLIPIAGSCKL-LPYMAVHISA-N
XLogP1.22
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-ethoxy-N-[2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3548938
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 45054684
N-[(2-ethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 5136428
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 51061317
N-[2-[2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3630521
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 92519550
4-fluoro-N-[2-oxo-2-[2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3550812
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6289402
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92963296

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 43948470) is 4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is PLRKLIPIAGSCKL-LPYMAVHISA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-4-29-18-8-6-5-7-16(18)13-22-23-19(25)14-21-20(26)15-9-11-17(12-10-15)30(27,28)24(2)3/h5-13H,4,14H2,1-3H3,(H,21,26)(H,23,25)/b22-13+.
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 432.50 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 43948470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).