N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide

C19H20FN3O2S — CID 118739704

IUPACN-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C19H20FN3O2S/c20-15-3-1-2-14(8-15)10-21-18(25)22-6-5-19(12-22)9-17(24)23(13-19)16-4-7-26-11-16/h1-4,7-8,11H,5-6,9-10,12-13H2,(H,21,25)
InChIKeyXXRNSGCGFZDMIZ-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.23
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide

N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 118739704) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID118739704
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C19H20FN3O2S/c20-15-3-1-2-14(8-15)10-21-18(25)22-6-5-19(12-22)9-17(24)23(13-19)16-4-7-26-11-16/h1-4,7-8,11H,5-6,9-10,12-13H2,(H,21,25)
InChIKeyXXRNSGCGFZDMIZ-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide with MolForge

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Related Compounds

2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
1-((1-(4-Fluorophenyl)-5-oxopyrrolidin-3-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 16920104
1-((1-(4-Fluorobenzyl)-5-oxopyrrolidin-3-yl)methyl)-3-(thiophen-2-yl)urea
CID 16920355
1-(4-fluorophenyl)-5-oxo-N-[2-(thiophen-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 49675549
(3aR,6aS)-2-[(4-fluorophenyl)methyl]-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97376783
(5S,9S)-7-(3-fluorobenzoyl)-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471809
N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739321
3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739322
N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739703
7-(2-Phenylacetyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739708
1-[(4R,7S,8aS)-4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-thiophen-3-ylurea
CID 26762201
3-[(4R,7S,8aS)-1-oxo-7-(thiophen-3-ylcarbamoylamino)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-benzylpropanamide
CID 26762307

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide (CID 118739704) is N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide is O=C(NCc1cccc(F)c1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is XXRNSGCGFZDMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c20-15-3-1-2-14(8-15)10-21-18(25)22-6-5-19(12-22)9-17(24)23(13-19)16-4-7-26-11-16/h1-4,7-8,11H,5-6,9-10,12-13H2,(H,21,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 118739704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).