N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide

C18H22N4O6S2 — CID 3504436

IUPACN-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H22N4O6S2/c1-13(23)21-15-3-7-17(8-4-15)29(25,26)19-11-12-20-30(27,28)18-9-5-16(6-10-18)22-14(2)24/h3-10,19-20H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyADWUVDWIBLAUEM-UHFFFAOYSA-N
MW454.53 g/mol
LogP0.86
Rot. Bonds9

About N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide

N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide (PubChem CID 3504436) has the molecular formula C18H22N4O6S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide
PubChem CID3504436
Molecular FormulaC18H22N4O6S2
Molecular Weight454.53 g/mol
Exact Mass454.10
IUPAC NameN-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H22N4O6S2/c1-13(23)21-15-3-7-17(8-4-15)29(25,26)19-11-12-20-30(27,28)18-9-5-16(6-10-18)22-14(2)24/h3-10,19-20H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyADWUVDWIBLAUEM-UHFFFAOYSA-N
XLogP0.86
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide (CID 3504436) is N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide?
The InChIKey is ADWUVDWIBLAUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6S2/c1-13(23)21-15-3-7-17(8-4-15)29(25,26)19-11-12-20-30(27,28)18-9-5-16(6-10-18)22-14(2)24/h3-10,19-20H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide has a molecular weight of 454.53 g/mol, XLogP of 0.86, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3504436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).