N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

C23H27N3O5S — CID 132559046

IUPACN-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESCOc1ccccc1N1C(=O)CSC1c1cccc(C(=O)NCCCCCC(=O)NO)c1
InChIInChI=1S/C23H27N3O5S/c1-31-19-11-5-4-10-18(19)26-21(28)15-32-23(26)17-9-7-8-16(14-17)22(29)24-13-6-2-3-12-20(27)25-30/h4-5,7-11,14,23,30H,2-3,6,12-13,15H2,1H3,(H,24,29)(H,25,27)
InChIKeyBDPRFWIJGHARFM-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.27
Rot. Bonds10

About N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (PubChem CID 132559046) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
PubChem CID132559046
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESCOc1ccccc1N1C(=O)CSC1c1cccc(C(=O)NCCCCCC(=O)NO)c1
InChIInChI=1S/C23H27N3O5S/c1-31-19-11-5-4-10-18(19)26-21(28)15-32-23(26)17-9-7-8-16(14-17)22(29)24-13-6-2-3-12-20(27)25-30/h4-5,7-11,14,23,30H,2-3,6,12-13,15H2,1H3,(H,24,29)(H,25,27)
InChIKeyBDPRFWIJGHARFM-UHFFFAOYSA-N
XLogP3.27
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (CID 132559046) is N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is COc1ccccc1N1C(=O)CSC1c1cccc(C(=O)NCCCCCC(=O)NO)c1.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is BDPRFWIJGHARFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-31-19-11-5-4-10-18(19)26-21(28)15-32-23(26)17-9-7-8-16(14-17)22(29)24-13-6-2-3-12-20(27)25-30/h4-5,7-11,14,23,30H,2-3,6,12-13,15H2,1H3,(H,24,29)(H,25,27).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 457.55 g/mol, XLogP of 3.27, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 132559046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).