3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide

C26H30N2O8S — CID 18363210

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide
SMILESCOc1ccc(S(=O)(=O)C(CCCN2C(=O)c3ccccc3C2=O)CC(=O)NO)cc1OC1CCCC1
InChIInChI=1S/C26H30N2O8S/c1-35-22-13-12-19(15-23(22)36-17-7-2-3-8-17)37(33,34)18(16-24(29)27-32)9-6-14-28-25(30)20-10-4-5-11-21(20)26(28)31/h4-5,10-13,15,17-18,32H,2-3,6-9,14,16H2,1H3,(H,27,29)
InChIKeyFGYNRNOOSHCFPR-UHFFFAOYSA-N
MW530.60 g/mol
LogP3.13
Rot. Bonds11

About 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide

3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide (PubChem CID 18363210) has the molecular formula C26H30N2O8S and a molecular weight of 530.60 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide
PubChem CID18363210
Molecular FormulaC26H30N2O8S
Molecular Weight530.60 g/mol
Exact Mass530.17
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide
SMILESCOc1ccc(S(=O)(=O)C(CCCN2C(=O)c3ccccc3C2=O)CC(=O)NO)cc1OC1CCCC1
InChIInChI=1S/C26H30N2O8S/c1-35-22-13-12-19(15-23(22)36-17-7-2-3-8-17)37(33,34)18(16-24(29)27-32)9-6-14-28-25(30)20-10-4-5-11-21(20)26(28)31/h4-5,10-13,15,17-18,32H,2-3,6-9,14,16H2,1H3,(H,27,29)
InChIKeyFGYNRNOOSHCFPR-UHFFFAOYSA-N
XLogP3.13
TPSA139.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.60
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide (CID 18363210) is 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide is COc1ccc(S(=O)(=O)C(CCCN2C(=O)c3ccccc3C2=O)CC(=O)NO)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide?
The InChIKey is FGYNRNOOSHCFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O8S/c1-35-22-13-12-19(15-23(22)36-17-7-2-3-8-17)37(33,34)18(16-24(29)27-32)9-6-14-28-25(30)20-10-4-5-11-21(20)26(28)31/h4-5,10-13,15,17-18,32H,2-3,6-9,14,16H2,1H3,(H,27,29).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide?
3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide has a molecular weight of 530.60 g/mol, XLogP of 3.13, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 18363210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).