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

C21H28F2N2O4S — CID 91912677

IUPACN-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(S(=O)(=O)c2ccc(F)cc2F)CC12CCOCC2
InChIInChI=1S/C21H28F2N2O4S/c22-15-6-7-19(18(23)12-15)30(27,28)25-13-17(21(14-25)8-10-29-11-9-21)20(26)24-16-4-2-1-3-5-16/h6-7,12,16-17H,1-5,8-11,13-14H2,(H,24,26)
InChIKeyBJUPHASLQRQXIV-UHFFFAOYSA-N
MW442.53 g/mol
LogP2.83
Rot. Bonds4

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

N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912677) has the molecular formula C21H28F2N2O4S and a molecular weight of 442.53 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912677
Molecular FormulaC21H28F2N2O4S
Molecular Weight442.53 g/mol
Exact Mass442.17
IUPAC NameN-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(S(=O)(=O)c2ccc(F)cc2F)CC12CCOCC2
InChIInChI=1S/C21H28F2N2O4S/c22-15-6-7-19(18(23)12-15)30(27,28)25-13-17(21(14-25)8-10-29-11-9-21)20(26)24-16-4-2-1-3-5-16/h6-7,12,16-17H,1-5,8-11,13-14H2,(H,24,26)
InChIKeyBJUPHASLQRQXIV-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

Analyze N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912684
N-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912689
N-cyclohexyl-2-[2-(4-fluorophenoxy)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912674
N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912661
N-cyclopentyl-2-(2,2-dimethylpropanoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924803
N-cyclohexyl-2-[(2,4-difluorophenyl)sulfonylamino]acetamide
CID 51099663
N-cyclohexyl-2-[2-(2-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924922
tert-butyl (3R)-3-[[(3S)-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 51961604
(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8771468
2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 53183442
2-cyclopentyl-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9302375
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912677) is N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NC1CCCCC1)C1CN(S(=O)(=O)c2ccc(F)cc2F)CC12CCOCC2.
What is the InChIKey of N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is BJUPHASLQRQXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N2O4S/c22-15-6-7-19(18(23)12-15)30(27,28)25-13-17(21(14-25)8-10-29-11-9-21)20(26)24-16-4-2-1-3-5-16/h6-7,12,16-17H,1-5,8-11,13-14H2,(H,24,26).
What are the key properties of N-cyclohexyl-2-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-(2,4-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-(2,4-difluorophenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).