N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C21H29FN2O4S — CID 91912682

IUPACN-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(S(=O)(=O)c2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C21H29FN2O4S/c22-16-5-4-8-18(13-16)29(26,27)24-14-19(21(15-24)9-11-28-12-10-21)20(25)23-17-6-2-1-3-7-17/h4-5,8,13,17,19H,1-3,6-7,9-12,14-15H2,(H,23,25)
InChIKeyBRBJYRTVTNYBIR-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.69
Rot. Bonds4

About N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912682) has the molecular formula C21H29FN2O4S and a molecular weight of 424.54 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912682
Molecular FormulaC21H29FN2O4S
Molecular Weight424.54 g/mol
Exact Mass424.18
IUPAC NameN-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(S(=O)(=O)c2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C21H29FN2O4S/c22-16-5-4-8-18(13-16)29(26,27)24-14-19(21(15-24)9-11-28-12-10-21)20(25)23-17-6-2-1-3-7-17/h4-5,8,13,17,19H,1-3,6-7,9-12,14-15H2,(H,23,25)
InChIKeyBRBJYRTVTNYBIR-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912682) is N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NC1CCCCC1)C1CN(S(=O)(=O)c2cccc(F)c2)CC12CCOCC2.
What is the InChIKey of N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is BRBJYRTVTNYBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O4S/c22-16-5-4-8-18(13-16)29(26,27)24-14-19(21(15-24)9-11-28-12-10-21)20(25)23-17-6-2-1-3-7-17/h4-5,8,13,17,19H,1-3,6-7,9-12,14-15H2,(H,23,25).
What are the key properties of N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).