4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide

C20H26N4O7S2 — CID 20780943

IUPAC4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)c(C(=O)NCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)s1
InChIInChI=1S/C20H26N4O7S2/c1-13-23-17(21)16(32-13)18(25)22-9-2-10-31-14-3-5-15(6-4-14)33(28,29)20(19(26)24-27)7-11-30-12-8-20/h3-6,27H,2,7-12,21H2,1H3,(H,22,25)(H,24,26)
InChIKeySRPGLLBNDIXUPP-UHFFFAOYSA-N
MW498.58 g/mol
LogP1.06
Rot. Bonds9

About 4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide

4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 20780943) has the molecular formula C20H26N4O7S2 and a molecular weight of 498.58 g/mol. Its IUPAC name is 4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID20780943
Molecular FormulaC20H26N4O7S2
Molecular Weight498.58 g/mol
Exact Mass498.12
IUPAC Name4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)c(C(=O)NCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)s1
InChIInChI=1S/C20H26N4O7S2/c1-13-23-17(21)16(32-13)18(25)22-9-2-10-31-14-3-5-15(6-4-14)33(28,29)20(19(26)24-27)7-11-30-12-8-20/h3-6,27H,2,7-12,21H2,1H3,(H,22,25)(H,24,26)
InChIKeySRPGLLBNDIXUPP-UHFFFAOYSA-N
XLogP1.06
TPSA169.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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 4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 20780943) is 4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)c(C(=O)NCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)s1.
What is the InChIKey of 4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SRPGLLBNDIXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O7S2/c1-13-23-17(21)16(32-13)18(25)22-9-2-10-31-14-3-5-15(6-4-14)33(28,29)20(19(26)24-27)7-11-30-12-8-20/h3-6,27H,2,7-12,21H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide?
4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 1.06, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20780943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).