N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide

C16H17N3O4S — CID 6473971

IUPACN-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-12(20)18-14-5-9-16(10-6-14)24(21,22)19-17-11-13-3-7-15(23-2)8-4-13/h3-11,19H,1-2H3,(H,18,20)/b17-11+
InChIKeyNZKDTENZNUIZTQ-GZTJUZNOSA-N
MW347.40 g/mol
LogP1.97
Rot. Bonds6

About N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide

N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide (PubChem CID 6473971) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
PubChem CID6473971
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-12(20)18-14-5-9-16(10-6-14)24(21,22)19-17-11-13-3-7-15(23-2)8-4-13/h3-11,19H,1-2H3,(H,18,20)/b17-11+
InChIKeyNZKDTENZNUIZTQ-GZTJUZNOSA-N
XLogP1.97
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.97
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-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide (CID 6473971) is N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide is COc1ccc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
The InChIKey is NZKDTENZNUIZTQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-12(20)18-14-5-9-16(10-6-14)24(21,22)19-17-11-13-3-7-15(23-2)8-4-13/h3-11,19H,1-2H3,(H,18,20)/b17-11+.
What are the key properties of N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide has a molecular weight of 347.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 6473971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).