(Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide

C24H34N2O6S — CID 58654679

IUPAC(Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide
SMILESCS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1[C@@H](O)C/C(=N/O)[C@@H]1/C=C/C(O)CCc1ccccc1
InChIInChI=1S/C24H34N2O6S/c1-33(31,32)26-24(29)12-8-3-2-7-11-21-20(22(25-30)17-23(21)28)16-15-19(27)14-13-18-9-5-4-6-10-18/h2,4-7,9-10,15-16,19-21,23,27-28,30H,3,8,11-14,17H2,1H3,(H,26,29)/b7-2-,16-15+,25-22-/t19?,20-,21-,23+/m1/s1
InChIKeyATNQCYWJIDALAE-HLFAGRCKSA-N
MW478.61 g/mol
LogP2.56
Rot. Bonds12

About (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide

(Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide (PubChem CID 58654679) has the molecular formula C24H34N2O6S and a molecular weight of 478.61 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide
PubChem CID58654679
Molecular FormulaC24H34N2O6S
Molecular Weight478.61 g/mol
Exact Mass478.21
IUPAC Name(Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide
SMILESCS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1[C@@H](O)C/C(=N/O)[C@@H]1/C=C/C(O)CCc1ccccc1
InChIInChI=1S/C24H34N2O6S/c1-33(31,32)26-24(29)12-8-3-2-7-11-21-20(22(25-30)17-23(21)28)16-15-19(27)14-13-18-9-5-4-6-10-18/h2,4-7,9-10,15-16,19-21,23,27-28,30H,3,8,11-14,17H2,1H3,(H,26,29)/b7-2-,16-15+,25-22-/t19?,20-,21-,23+/m1/s1
InChIKeyATNQCYWJIDALAE-HLFAGRCKSA-N
XLogP2.56
TPSA136.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide with MolForge

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Related Compounds

(E)-7-[5-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
CID 20527904
(Z)-7-[(1R,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
CID 95065561
(E)-7-[(3Z)-2-[(E)-3-ethyl-3-hydroxy-6-phenylhex-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoic acid
CID 22085170
7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 123932006
(Z)-7-[2-hydroxy-5-(3-hydroxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enoic acid
CID 67816140
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 91885972
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
CID 134688569
(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxy-3-(3-propylcyclopentyl)prop-1-enyl]-3-oxocyclopentyl]-N-methylsulfonylhept-5-enamide
CID 70517594
(E)-8-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-1-hydroxyoct-6-en-2-one
CID 22628718
N-(cyclopropylmethyl)-7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide
CID 53393950
(Z)-N-ethyl-7-[(1S,5R)-5-[(E,3R)-3-hydroxy-5-phenylpent-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enamide
CID 45137094
(1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol
CID 142089775

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide?
The IUPAC name of (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide (CID 58654679) is (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide.
What is the SMILES notation for (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide?
The canonical SMILES for (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide is CS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1[C@@H](O)C/C(=N/O)[C@@H]1/C=C/C(O)CCc1ccccc1.
What is the InChIKey of (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide?
The InChIKey is ATNQCYWJIDALAE-HLFAGRCKSA-N. The full InChI is InChI=1S/C24H34N2O6S/c1-33(31,32)26-24(29)12-8-3-2-7-11-21-20(22(25-30)17-23(21)28)16-15-19(27)14-13-18-9-5-4-6-10-18/h2,4-7,9-10,15-16,19-21,23,27-28,30H,3,8,11-14,17H2,1H3,(H,26,29)/b7-2-,16-15+,25-22-/t19?,20-,21-,23+/m1/s1.
What are the key properties of (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide?
(Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide has a molecular weight of 478.61 g/mol, XLogP of 2.56, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide is sourced from PubChem (CID 58654679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).