N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C17H22FN3O4S — CID 91920547

IUPACN-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCN1C(=O)CS(=O)C12CCN(C(=O)Nc1ccccc1F)CC2
InChIInChI=1S/C17H22FN3O4S/c1-25-11-10-21-15(22)12-26(24)17(21)6-8-20(9-7-17)16(23)19-14-5-3-2-4-13(14)18/h2-5H,6-12H2,1H3,(H,19,23)
InChIKeyOUGYALVWEHXNKW-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.39
Rot. Bonds4

About N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 91920547) has the molecular formula C17H22FN3O4S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID91920547
Molecular FormulaC17H22FN3O4S
Molecular Weight383.45 g/mol
Exact Mass383.13
IUPAC NameN-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCN1C(=O)CS(=O)C12CCN(C(=O)Nc1ccccc1F)CC2
InChIInChI=1S/C17H22FN3O4S/c1-25-11-10-21-15(22)12-26(24)17(21)6-8-20(9-7-17)16(23)19-14-5-3-2-4-13(14)18/h2-5H,6-12H2,1H3,(H,19,23)
InChIKeyOUGYALVWEHXNKW-UHFFFAOYSA-N
XLogP1.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
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CID 46113052
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1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
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methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
2-(2-methoxyethyl)-N-naphthalen-1-yl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 91920547) is N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is COCCN1C(=O)CS(=O)C12CCN(C(=O)Nc1ccccc1F)CC2.
What is the InChIKey of N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is OUGYALVWEHXNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O4S/c1-25-11-10-21-15(22)12-26(24)17(21)6-8-20(9-7-17)16(23)19-14-5-3-2-4-13(14)18/h2-5H,6-12H2,1H3,(H,19,23).
What are the key properties of N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 91920547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).