N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C22H31FN2O4S — CID 91912684

IUPACN-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CC(C(=O)NC2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C22H31FN2O4S/c1-16-7-8-17(23)13-20(16)30(27,28)25-14-19(22(15-25)9-11-29-12-10-22)21(26)24-18-5-3-2-4-6-18/h7-8,13,18-19H,2-6,9-12,14-15H2,1H3,(H,24,26)
InChIKeyUKTSIMGSYBAXQY-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.00
Rot. Bonds4

About N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912684) has the molecular formula C22H31FN2O4S and a molecular weight of 438.57 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912684
Molecular FormulaC22H31FN2O4S
Molecular Weight438.57 g/mol
Exact Mass438.20
IUPAC NameN-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CC(C(=O)NC2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C22H31FN2O4S/c1-16-7-8-17(23)13-20(16)30(27,28)25-14-19(22(15-25)9-11-29-12-10-22)21(26)24-18-5-3-2-4-6-18/h7-8,13,18-19H,2-6,9-12,14-15H2,1H3,(H,24,26)
InChIKeyUKTSIMGSYBAXQY-UHFFFAOYSA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912677
N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912689
6-(5-fluoro-2-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881374
N-cyclohexyl-2-[2-(4-fluorophenoxy)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912674
N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924922
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
CID 69189183
N-cyclopropyl-2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 46457701
4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390373
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912684) is N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(F)cc1S(=O)(=O)N1CC(C(=O)NC2CCCCC2)C2(CCOCC2)C1.
What is the InChIKey of N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is UKTSIMGSYBAXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O4S/c1-16-7-8-17(23)13-20(16)30(27,28)25-14-19(22(15-25)9-11-29-12-10-22)21(26)24-18-5-3-2-4-6-18/h7-8,13,18-19H,2-6,9-12,14-15H2,1H3,(H,24,26).
What are the key properties of N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).