N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C21H28F2N2O4S — CID 91912686

IUPACN-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(S(=O)(=O)c2cc(F)cc(F)c2)CC12CCOCC2
InChIInChI=1S/C21H28F2N2O4S/c22-15-10-16(23)12-18(11-15)30(27,28)25-13-19(21(14-25)6-8-29-9-7-21)20(26)24-17-4-2-1-3-5-17/h10-12,17,19H,1-9,13-14H2,(H,24,26)
InChIKeyBHZWTOKYYYVLRZ-UHFFFAOYSA-N
MW442.53 g/mol
LogP2.83
Rot. Bonds4

About N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912686) has the molecular formula C21H28F2N2O4S and a molecular weight of 442.53 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912686
Molecular FormulaC21H28F2N2O4S
Molecular Weight442.53 g/mol
Exact Mass442.17
IUPAC NameN-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(S(=O)(=O)c2cc(F)cc(F)c2)CC12CCOCC2
InChIInChI=1S/C21H28F2N2O4S/c22-15-10-16(23)12-18(11-15)30(27,28)25-13-19(21(14-25)6-8-29-9-7-21)20(26)24-17-4-2-1-3-5-17/h10-12,17,19H,1-9,13-14H2,(H,24,26)
InChIKeyBHZWTOKYYYVLRZ-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912686) is N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NC1CCCCC1)C1CN(S(=O)(=O)c2cc(F)cc(F)c2)CC12CCOCC2.
What is the InChIKey of N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is BHZWTOKYYYVLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N2O4S/c22-15-10-16(23)12-18(11-15)30(27,28)25-13-19(21(14-25)6-8-29-9-7-21)20(26)24-17-4-2-1-3-5-17/h10-12,17,19H,1-9,13-14H2,(H,24,26).
What are the key properties of N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 442.53 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).