1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea

C16H16N4O5S — CID 11463026

IUPAC1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
SMILESCC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16N4O5S/c1-10(21)11-2-6-13(7-3-11)18-16(23)20-19-15(22)12-4-8-14(9-5-12)26(17,24)25/h2-9H,1H3,(H,19,22)(H2,17,24,25)(H2,18,20,23)
InChIKeyHOGVORDULJMFIY-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.00
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea

1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea (PubChem CID 11463026) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
PubChem CID11463026
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
SMILESCC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16N4O5S/c1-10(21)11-2-6-13(7-3-11)18-16(23)20-19-15(22)12-4-8-14(9-5-12)26(17,24)25/h2-9H,1H3,(H,19,22)(H2,17,24,25)(H2,18,20,23)
InChIKeyHOGVORDULJMFIY-UHFFFAOYSA-N
XLogP1.00
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.00
H-Bond Donors ≤ 54
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 1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea (CID 11463026) is 1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea is CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The InChIKey is HOGVORDULJMFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c1-10(21)11-2-6-13(7-3-11)18-16(23)20-19-15(22)12-4-8-14(9-5-12)26(17,24)25/h2-9H,1H3,(H,19,22)(H2,17,24,25)(H2,18,20,23).
What are the key properties of 1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea has a molecular weight of 376.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea is sourced from PubChem (CID 11463026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).