8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C26H30FN3O5S — CID 91351009

IUPAC8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NC1CCCC1OCc1ccccc1)C1=CC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ON1
InChIInChI=1S/C26H30FN3O5S/c27-20-9-11-21(12-10-20)36(32,33)30-15-13-26(14-16-30)17-23(29-35-26)25(31)28-22-7-4-8-24(22)34-18-19-5-2-1-3-6-19/h1-3,5-6,9-12,17,22,24,29H,4,7-8,13-16,18H2,(H,28,31)
InChIKeyLWYUWWREHPSVEG-UHFFFAOYSA-N
MW515.61 g/mol
LogP3.02
Rot. Bonds7

About 8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91351009) has the molecular formula C26H30FN3O5S and a molecular weight of 515.61 g/mol. Its IUPAC name is 8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91351009
Molecular FormulaC26H30FN3O5S
Molecular Weight515.61 g/mol
Exact Mass515.19
IUPAC Name8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NC1CCCC1OCc1ccccc1)C1=CC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ON1
InChIInChI=1S/C26H30FN3O5S/c27-20-9-11-21(12-10-20)36(32,33)30-15-13-26(14-16-30)17-23(29-35-26)25(31)28-22-7-4-8-24(22)34-18-19-5-2-1-3-6-19/h1-3,5-6,9-12,17,22,24,29H,4,7-8,13-16,18H2,(H,28,31)
InChIKeyLWYUWWREHPSVEG-UHFFFAOYSA-N
XLogP3.02
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91351009) is 8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NC1CCCC1OCc1ccccc1)C1=CC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ON1.
What is the InChIKey of 8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is LWYUWWREHPSVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O5S/c27-20-9-11-21(12-10-20)36(32,33)30-15-13-26(14-16-30)17-23(29-35-26)25(31)28-22-7-4-8-24(22)34-18-19-5-2-1-3-6-19/h1-3,5-6,9-12,17,22,24,29H,4,7-8,13-16,18H2,(H,28,31).
What are the key properties of 8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)sulfonyl-N-(2-phenylmethoxycyclopentyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91351009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).