N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide

C30H36N2O7S — CID 87989865

IUPACN-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide
SMILESCOc1ccc(S(=O)(=O)C(CCCCc2ccccc2)CC(=O)NO)cc1O[C@H]1CC[C@@H](Oc2cccnc2)C1
InChIInChI=1S/C30H36N2O7S/c1-37-28-16-15-27(19-29(28)39-24-14-13-23(18-24)38-25-11-7-17-31-21-25)40(35,36)26(20-30(33)32-34)12-6-5-10-22-8-3-2-4-9-22/h2-4,7-9,11,15-17,19,21,23-24,26,34H,5-6,10,12-14,18,20H2,1H3,(H,32,33)/t23-,24+,26?/m1/s1
InChIKeyNLQMJNFXHSEHAM-QDQVWJFBSA-N
MW568.69 g/mol
LogP4.92
Rot. Bonds14

About N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide

N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide (PubChem CID 87989865) has the molecular formula C30H36N2O7S and a molecular weight of 568.69 g/mol. Its IUPAC name is N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide
PubChem CID87989865
Molecular FormulaC30H36N2O7S
Molecular Weight568.69 g/mol
Exact Mass568.22
IUPAC NameN-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide
SMILESCOc1ccc(S(=O)(=O)C(CCCCc2ccccc2)CC(=O)NO)cc1O[C@H]1CC[C@@H](Oc2cccnc2)C1
InChIInChI=1S/C30H36N2O7S/c1-37-28-16-15-27(19-29(28)39-24-14-13-23(18-24)38-25-11-7-17-31-21-25)40(35,36)26(20-30(33)32-34)12-6-5-10-22-8-3-2-4-9-22/h2-4,7-9,11,15-17,19,21,23-24,26,34H,5-6,10,12-14,18,20H2,1H3,(H,32,33)/t23-,24+,26?/m1/s1
InChIKeyNLQMJNFXHSEHAM-QDQVWJFBSA-N
XLogP4.92
TPSA124.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.69
LogP ≤ 54.92
H-Bond Donors ≤ 52
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'}

Analyze N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide with MolForge

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Related Compounds

3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide
CID 23061656
3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide
CID 18363210
(2R,3R)-3-(3,4-dimethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-7-phenylheptanamide
CID 54050276
2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide
CID 121186296
2-bromo-1-methoxy-4-(6-phenylhexan-3-ylsulfonyl)benzene
CID 170744041
methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate
CID 67421433
methyl (2S,4S)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxypyrrolidine-2-carboxylate
CID 59908685
2-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185936
3-(3-cyclopentyloxy-4-methoxyphenyl)sulfanyl-7-phenylheptanoic acid
CID 18363145
3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-7-(N-ethylanilino)-6-methyl-7-oxoheptanoic acid
CID 18363162
3-(3-methoxycyclopentyl)oxypyridine
CID 175909787
4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one
CID 71801294

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide?
The IUPAC name of N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide (CID 87989865) is N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide.
What is the SMILES notation for N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide?
The canonical SMILES for N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide is COc1ccc(S(=O)(=O)C(CCCCc2ccccc2)CC(=O)NO)cc1O[C@H]1CC[C@@H](Oc2cccnc2)C1.
What is the InChIKey of N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide?
The InChIKey is NLQMJNFXHSEHAM-QDQVWJFBSA-N. The full InChI is InChI=1S/C30H36N2O7S/c1-37-28-16-15-27(19-29(28)39-24-14-13-23(18-24)38-25-11-7-17-31-21-25)40(35,36)26(20-30(33)32-34)12-6-5-10-22-8-3-2-4-9-22/h2-4,7-9,11,15-17,19,21,23-24,26,34H,5-6,10,12-14,18,20H2,1H3,(H,32,33)/t23-,24+,26?/m1/s1.
What are the key properties of N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide?
N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide has a molecular weight of 568.69 g/mol, XLogP of 4.92, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide is sourced from PubChem (CID 87989865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).