N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide

C17H19N3O4S — CID 6083747

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19N3O4S/c1-13-3-9-16(10-4-13)25(22,23)19-12-17(21)20-18-11-14-5-7-15(24-2)8-6-14/h3-11,19H,12H2,1-2H3,(H,20,21)/b18-11+
InChIKeyYQVRSEZQWYEVEI-WOJGMQOQSA-N
MW361.42 g/mol
LogP1.43
Rot. Bonds7

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 6083747) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID6083747
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19N3O4S/c1-13-3-9-16(10-4-13)25(22,23)19-12-17(21)20-18-11-14-5-7-15(24-2)8-6-14/h3-11,19H,12H2,1-2H3,(H,20,21)/b18-11+
InChIKeyYQVRSEZQWYEVEI-WOJGMQOQSA-N
XLogP1.43
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.43
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-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 6083747) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide is COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is YQVRSEZQWYEVEI-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-13-3-9-16(10-4-13)25(22,23)19-12-17(21)20-18-11-14-5-7-15(24-2)8-6-14/h3-11,19H,12H2,1-2H3,(H,20,21)/b18-11+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 361.42 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 6083747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).