3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide

C25H33NO6S — CID 23061656

IUPAC3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide
SMILESCOc1cc(S(=O)(=O)C(CCCCc2ccccc2)CC(=O)NO)ccc1OC1CCCC1
InChIInChI=1S/C25H33NO6S/c1-31-24-17-22(15-16-23(24)32-20-12-6-7-13-20)33(29,30)21(18-25(27)26-28)14-8-5-11-19-9-3-2-4-10-19/h2-4,9-10,15-17,20-21,28H,5-8,11-14,18H2,1H3,(H,26,27)
InChIKeyDXCCNCNHSGBSNA-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.47
Rot. Bonds12

About 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide

3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide (PubChem CID 23061656) has the molecular formula C25H33NO6S and a molecular weight of 475.61 g/mol. Its IUPAC name is 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide.

Molecular Properties

Compound Name3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide
PubChem CID23061656
Molecular FormulaC25H33NO6S
Molecular Weight475.61 g/mol
Exact Mass475.20
IUPAC Name3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide
SMILESCOc1cc(S(=O)(=O)C(CCCCc2ccccc2)CC(=O)NO)ccc1OC1CCCC1
InChIInChI=1S/C25H33NO6S/c1-31-24-17-22(15-16-23(24)32-20-12-6-7-13-20)33(29,30)21(18-25(27)26-28)14-8-5-11-19-9-3-2-4-10-19/h2-4,9-10,15-17,20-21,28H,5-8,11-14,18H2,1H3,(H,26,27)
InChIKeyDXCCNCNHSGBSNA-UHFFFAOYSA-N
XLogP4.47
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.47
H-Bond Donors ≤ 52
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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Related Compounds

N-hydroxy-3-[4-methoxy-3-[(1S,3R)-3-pyridin-3-yloxycyclopentyl]oxyphenyl]sulfonyl-7-phenylheptanamide
CID 87989865
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
tert-butyl 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfanyl-7-phenylheptanoate
CID 18363186
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
2-bromo-1-methoxy-4-(6-phenylhexan-3-ylsulfonyl)benzene
CID 170744041
(2S)-N-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)piperidine-2-carboxamide
CID 70186026
2-bromo-1-methoxy-4-(1-phenylpentan-3-ylsulfonyl)benzene
CID 170743974
3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 150365097
(2R,3S)-3-(3,4-dimethoxyphenyl)sulfanyl-N-hydroxy-2-methyl-7-phenylheptanamide
CID 57151533
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide
CID 3270673

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide?
The IUPAC name of 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide (CID 23061656) is 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide.
What is the SMILES notation for 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide?
The canonical SMILES for 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide is COc1cc(S(=O)(=O)C(CCCCc2ccccc2)CC(=O)NO)ccc1OC1CCCC1.
What is the InChIKey of 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide?
The InChIKey is DXCCNCNHSGBSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO6S/c1-31-24-17-22(15-16-23(24)32-20-12-6-7-13-20)33(29,30)21(18-25(27)26-28)14-8-5-11-19-9-3-2-4-10-19/h2-4,9-10,15-17,20-21,28H,5-8,11-14,18H2,1H3,(H,26,27).
What are the key properties of 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide?
3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide has a molecular weight of 475.61 g/mol, XLogP of 4.47, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxy-3-methoxyphenyl)sulfonyl-N-hydroxy-7-phenylheptanamide is sourced from PubChem (CID 23061656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).