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

C22H32N2O4S — CID 91912696

IUPACN-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)c1
InChIInChI=1S/C22H32N2O4S/c1-17-6-5-9-19(14-17)29(26,27)24-15-20(22(16-24)10-12-28-13-11-22)21(25)23-18-7-3-2-4-8-18/h5-6,9,14,18,20H,2-4,7-8,10-13,15-16H2,1H3,(H,23,25)
InChIKeyWWOPEYAFCOULQY-UHFFFAOYSA-N
MW420.58 g/mol
LogP2.86
Rot. Bonds4

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

N-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912696) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912696
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)c1
InChIInChI=1S/C22H32N2O4S/c1-17-6-5-9-19(14-17)29(26,27)24-15-20(22(16-24)10-12-28-13-11-22)21(25)23-18-7-3-2-4-8-18/h5-6,9,14,18,20H,2-4,7-8,10-13,15-16H2,1H3,(H,23,25)
InChIKeyWWOPEYAFCOULQY-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.86
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-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912696) is N-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1cccc(S(=O)(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)c1.
What is the InChIKey of N-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is WWOPEYAFCOULQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-17-6-5-9-19(14-17)29(26,27)24-15-20(22(16-24)10-12-28-13-11-22)21(25)23-18-7-3-2-4-8-18/h5-6,9,14,18,20H,2-4,7-8,10-13,15-16H2,1H3,(H,23,25).
What are the key properties of N-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-(3-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 2.86, 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-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).