N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide

C20H18N2O3S2 — CID 166257008

IUPACN-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NC1CC2(C1)CS(=O)(=O)C2)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H18N2O3S2/c23-19(21-13-9-20(10-13)11-27(24,25)12-20)15-8-17(18-6-3-7-26-18)22-16-5-2-1-4-14(15)16/h1-8,13H,9-12H2,(H,21,23)
InChIKeyWDLOPFANGFOBOU-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.27
Rot. Bonds3

About N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 166257008) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID166257008
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC NameN-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NC1CC2(C1)CS(=O)(=O)C2)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H18N2O3S2/c23-19(21-13-9-20(10-13)11-27(24,25)12-20)15-8-17(18-6-3-7-26-18)22-16-5-2-1-4-14(15)16/h1-8,13H,9-12H2,(H,21,23)
InChIKeyWDLOPFANGFOBOU-UHFFFAOYSA-N
XLogP3.27
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55501818
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 25397691
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 55812409
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 120946099
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 166257008) is N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NC1CC2(C1)CS(=O)(=O)C2)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is WDLOPFANGFOBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c23-19(21-13-9-20(10-13)11-27(24,25)12-20)15-8-17(18-6-3-7-26-18)22-16-5-2-1-4-14(15)16/h1-8,13H,9-12H2,(H,21,23).
What are the key properties of N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 166257008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).