7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide

C23H26N4O7S — CID 10164074

IUPAC7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide
SMILESO=C(CC(CCCCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NO
InChIInChI=1S/C23H26N4O7S/c28-21-13-15-27(23(30)24-21)14-5-4-6-17(16-22(29)25-31)26-35(32,33)20-11-9-19(10-12-20)34-18-7-2-1-3-8-18/h1-3,7-13,15,17,26,31H,4-6,14,16H2,(H,25,29)(H,24,28,30)
InChIKeyULPUFNSVAKBQPH-UHFFFAOYSA-N
MW502.55 g/mol
LogP1.74
Rot. Bonds12

About 7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide

7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide (PubChem CID 10164074) has the molecular formula C23H26N4O7S and a molecular weight of 502.55 g/mol. Its IUPAC name is 7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide.

Molecular Properties

Compound Name7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide
PubChem CID10164074
Molecular FormulaC23H26N4O7S
Molecular Weight502.55 g/mol
Exact Mass502.15
IUPAC Name7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide
SMILESO=C(CC(CCCCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NO
InChIInChI=1S/C23H26N4O7S/c28-21-13-15-27(23(30)24-21)14-5-4-6-17(16-22(29)25-31)26-35(32,33)20-11-9-19(10-12-20)34-18-7-2-1-3-8-18/h1-3,7-13,15,17,26,31H,4-6,14,16H2,(H,25,29)(H,24,28,30)
InChIKeyULPUFNSVAKBQPH-UHFFFAOYSA-N
XLogP1.74
TPSA159.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide?
The IUPAC name of 7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide (CID 10164074) is 7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide.
What is the SMILES notation for 7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide?
The canonical SMILES for 7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide is O=C(CC(CCCCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NO.
What is the InChIKey of 7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide?
The InChIKey is ULPUFNSVAKBQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O7S/c28-21-13-15-27(23(30)24-21)14-5-4-6-17(16-22(29)25-31)26-35(32,33)20-11-9-19(10-12-20)34-18-7-2-1-3-8-18/h1-3,7-13,15,17,26,31H,4-6,14,16H2,(H,25,29)(H,24,28,30).
What are the key properties of 7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide?
7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide has a molecular weight of 502.55 g/mol, XLogP of 1.74, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dioxopyrimidin-1-yl)-N-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]heptanamide is sourced from PubChem (CID 10164074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).