N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide

C21H20N2O3S — CID 22334574

IUPACN-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCCn1c(=O)cc(SCC(=O)Nc2ccc(C(C)=O)cc2)c2ccccc21
InChIInChI=1S/C21H20N2O3S/c1-3-23-18-7-5-4-6-17(18)19(12-21(23)26)27-13-20(25)22-16-10-8-15(9-11-16)14(2)24/h4-12H,3,13H2,1-2H3,(H,22,25)
InChIKeyPORSTSDGSPMLPG-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.95
Rot. Bonds6

About N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide

N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide (PubChem CID 22334574) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
PubChem CID22334574
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCCn1c(=O)cc(SCC(=O)Nc2ccc(C(C)=O)cc2)c2ccccc21
InChIInChI=1S/C21H20N2O3S/c1-3-23-18-7-5-4-6-17(18)19(12-21(23)26)27-13-20(25)22-16-10-8-15(9-11-16)14(2)24/h4-12H,3,13H2,1-2H3,(H,22,25)
InChIKeyPORSTSDGSPMLPG-UHFFFAOYSA-N
XLogP3.95
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 20864344
N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
CID 20864343
2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902363
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 3244915
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
ethyl 4-[[2-(1-ethylindol-3-yl)sulfanylacetyl]amino]benzoate
CID 3420060
1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one
CID 12014781
N-(4-benzoylphenyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 23832808
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 1010292
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate
CID 16587290
(E)-4-[4-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22785050

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide (CID 22334574) is N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide is CCn1c(=O)cc(SCC(=O)Nc2ccc(C(C)=O)cc2)c2ccccc21.
What is the InChIKey of N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The InChIKey is PORSTSDGSPMLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-3-23-18-7-5-4-6-17(18)19(12-21(23)26)27-13-20(25)22-16-10-8-15(9-11-16)14(2)24/h4-12H,3,13H2,1-2H3,(H,22,25).
What are the key properties of N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide has a molecular weight of 380.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 22334574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).