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

C22H32N2O5S — CID 91912689

IUPACN-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1
InChIInChI=1S/C22H32N2O5S/c1-28-18-7-9-19(10-8-18)30(26,27)24-15-20(22(16-24)11-13-29-14-12-22)21(25)23-17-5-3-2-4-6-17/h7-10,17,20H,2-6,11-16H2,1H3,(H,23,25)
InChIKeyLCCMLKXKQSFLDO-UHFFFAOYSA-N
MW436.57 g/mol
LogP2.56
Rot. Bonds5

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

N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912689) has the molecular formula C22H32N2O5S and a molecular weight of 436.57 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912689
Molecular FormulaC22H32N2O5S
Molecular Weight436.57 g/mol
Exact Mass436.20
IUPAC NameN-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1
InChIInChI=1S/C22H32N2O5S/c1-28-18-7-9-19(10-8-18)30(26,27)24-15-20(22(16-24)11-13-29-14-12-22)21(25)23-17-5-3-2-4-6-17/h7-10,17,20H,2-6,11-16H2,1H3,(H,23,25)
InChIKeyLCCMLKXKQSFLDO-UHFFFAOYSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912684
N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912677
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95105764
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
N-cyclopentyl-1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881502
N-[1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 56737600
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
2-[4-(trifluoromethyl)phenyl]sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138809601

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912689) is N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is COc1ccc(S(=O)(=O)N2CC(C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is LCCMLKXKQSFLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5S/c1-28-18-7-9-19(10-8-18)30(26,27)24-15-20(22(16-24)11-13-29-14-12-22)21(25)23-17-5-3-2-4-6-17/h7-10,17,20H,2-6,11-16H2,1H3,(H,23,25).
What are the key properties of N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 436.57 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).