5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide

C26H25N3O3S — CID 118001771

IUPAC5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCCSCC(=O)Nc1cccc2[nH]c(=O)c(C(=O)NCCc3ccc4ccccc4c3)cc12
InChIInChI=1S/C26H25N3O3S/c1-2-33-16-24(30)28-22-8-5-9-23-20(22)15-21(26(32)29-23)25(31)27-13-12-17-10-11-18-6-3-4-7-19(18)14-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyBMLOOTGWWGHQOQ-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.35
Rot. Bonds8

About 5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide

5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 118001771) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID118001771
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCCSCC(=O)Nc1cccc2[nH]c(=O)c(C(=O)NCCc3ccc4ccccc4c3)cc12
InChIInChI=1S/C26H25N3O3S/c1-2-33-16-24(30)28-22-8-5-9-23-20(22)15-21(26(32)29-23)25(31)27-13-12-17-10-11-18-6-3-4-7-19(18)14-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyBMLOOTGWWGHQOQ-UHFFFAOYSA-N
XLogP4.35
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 38112777
5-amino-N-[2-(4-methylphenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731731
N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613142
ethyl 2-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]sulfanylacetate
CID 8594862
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
N-[2-(4-methoxyphenyl)ethyl]-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497361
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide
CID 23987823
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17492319
N-[2-(4-fluorophenyl)ethyl]-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497514
N-(4-bromophenyl)-5-[(2-chloroacetyl)amino]-N-ethyl-2-oxo-1H-quinoline-3-carboxamide
CID 118001933
N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769058

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide (CID 118001771) is 5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide is CCSCC(=O)Nc1cccc2[nH]c(=O)c(C(=O)NCCc3ccc4ccccc4c3)cc12.
What is the InChIKey of 5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BMLOOTGWWGHQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-2-33-16-24(30)28-22-8-5-9-23-20(22)15-21(26(32)29-23)25(31)27-13-12-17-10-11-18-6-3-4-7-19(18)14-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of 5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide?
5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylsulfanylacetyl)amino]-N-(2-naphthalen-2-ylethyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 118001771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).