N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

C22H32N4O3S — CID 3800347

IUPACN-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCC2(CC1)CCN(C(=S)NC1CCCCC1)C2)c1ccco1
InChIInChI=1S/C22H32N4O3S/c27-19(15-23-20(28)18-7-4-14-29-18)25-11-8-22(9-12-25)10-13-26(16-22)21(30)24-17-5-2-1-3-6-17/h4,7,14,17H,1-3,5-6,8-13,15-16H2,(H,23,28)(H,24,30)
InChIKeyGKMUUHACCZXCPF-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.53
Rot. Bonds4

About N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3800347) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID3800347
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC NameN-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCC2(CC1)CCN(C(=S)NC1CCCCC1)C2)c1ccco1
InChIInChI=1S/C22H32N4O3S/c27-19(15-23-20(28)18-7-4-14-29-18)25-11-8-22(9-12-25)10-13-26(16-22)21(30)24-17-5-2-1-3-6-17/h4,7,14,17H,1-3,5-6,8-13,15-16H2,(H,23,28)(H,24,30)
InChIKeyGKMUUHACCZXCPF-UHFFFAOYSA-N
XLogP2.53
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[2-(oxolan-2-ylmethylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
CID 3379503
N-[2-oxo-2-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
CID 74225192
N-cyclohexyl-8-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3722675
N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 4665105
N-[2-oxo-2-[2-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
CID 3366695
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
N-[2-[2-[(2S)-2-acetamido-4-methylpent-4-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 74226717
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 74224465
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880332
N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 5102434

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (CID 3800347) is N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCC2(CC1)CCN(C(=S)NC1CCCCC1)C2)c1ccco1.
What is the InChIKey of N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is GKMUUHACCZXCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c27-19(15-23-20(28)18-7-4-14-29-18)25-11-8-22(9-12-25)10-13-26(16-22)21(30)24-17-5-2-1-3-6-17/h4,7,14,17H,1-3,5-6,8-13,15-16H2,(H,23,28)(H,24,30).
What are the key properties of N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclohexylcarbamothioyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3800347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).