N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide

C15H17N3O4S — CID 118706837

IUPACN-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C15H17N3O4S/c1-11(19)16-12-5-9-15(10-6-12)23(20,21)18-17-13-3-7-14(22-2)8-4-13/h3-10,17-18H,1-2H3,(H,16,19)
InChIKeyXQBPLHDYONJVBX-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.96
Rot. Bonds6

About N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide

N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide (PubChem CID 118706837) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide
PubChem CID118706837
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C15H17N3O4S/c1-11(19)16-12-5-9-15(10-6-12)23(20,21)18-17-13-3-7-14(22-2)8-4-13/h3-10,17-18H,1-2H3,(H,16,19)
InChIKeyXQBPLHDYONJVBX-UHFFFAOYSA-N
XLogP1.96
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide (CID 118706837) is N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide is COc1ccc(NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide?
The InChIKey is XQBPLHDYONJVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-11(19)16-12-5-9-15(10-6-12)23(20,21)18-17-13-3-7-14(22-2)8-4-13/h3-10,17-18H,1-2H3,(H,16,19).
What are the key properties of N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide?
N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide has a molecular weight of 335.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 118706837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).