N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide

C19H18ClN3O2S — CID 46324939

IUPACN-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
SMILESCCn1c(=O)c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H18ClN3O2S/c1-2-23-16-6-4-3-5-15(16)22-18(19(23)25)26-12-17(24)21-11-13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKeyGGSAWARWTAFACZ-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.48
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide

N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide (PubChem CID 46324939) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
PubChem CID46324939
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
SMILESCCn1c(=O)c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H18ClN3O2S/c1-2-23-16-6-4-3-5-15(16)22-18(19(23)25)26-12-17(24)21-11-13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKeyGGSAWARWTAFACZ-UHFFFAOYSA-N
XLogP3.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 50781668
N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
CID 7173108
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781324
N-[(2S)-butan-2-yl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 92889336
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 46325021
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781489
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325057
N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17462773
N-[(4-chlorophenyl)methyl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 2705274
N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325099

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide (CID 46324939) is N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide is CCn1c(=O)c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is GGSAWARWTAFACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-2-23-16-6-4-3-5-15(16)22-18(19(23)25)26-12-17(24)21-11-13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3,(H,21,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 387.89 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46324939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).