N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide

C19H18N2O2S — CID 75401152

IUPACN-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide
SMILESCCc1cc(=O)c2cc(NC(=O)CSc3ccccc3)ccc2[nH]1
InChIInChI=1S/C19H18N2O2S/c1-2-13-11-18(22)16-10-14(8-9-17(16)20-13)21-19(23)12-24-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVIEHIEUZLORRSS-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.82
Rot. Bonds5

About N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide

N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide (PubChem CID 75401152) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide
PubChem CID75401152
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide
SMILESCCc1cc(=O)c2cc(NC(=O)CSc3ccccc3)ccc2[nH]1
InChIInChI=1S/C19H18N2O2S/c1-2-13-11-18(22)16-10-14(8-9-17(16)20-13)21-19(23)12-24-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVIEHIEUZLORRSS-UHFFFAOYSA-N
XLogP3.82
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylsulfanylacetamide
CID 6459618
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-[4-[[2,6-diethyl-4-[(2-phenylsulfanylacetyl)amino]phenyl]methyl]-3,5-diethylphenyl]-2-phenylsulfanylacetamide
CID 4601637
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
N-(2-methyl-4-oxo-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 39848963
6-tert-butyl-2-ethyl-1H-quinolin-4-one
CID 43668294
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide
CID 7974901
N-(4-ethoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355604
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 22580167

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide (CID 75401152) is N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide is CCc1cc(=O)c2cc(NC(=O)CSc3ccccc3)ccc2[nH]1.
What is the InChIKey of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide?
The InChIKey is VIEHIEUZLORRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-2-13-11-18(22)16-10-14(8-9-17(16)20-13)21-19(23)12-24-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide?
N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide has a molecular weight of 338.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 75401152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).