2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide

C21H23N3O2S — CID 92869824

IUPAC2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C21H23N3O2S/c1-15(12-13-16-8-4-3-5-9-16)22-19(25)14-27-20-21(26)24(2)18-11-7-6-10-17(18)23-20/h3-11,15H,12-14H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyNPORBHCHYDFXMZ-HNNXBMFYSA-N
MW381.50 g/mol
LogP3.16
Rot. Bonds7

About 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 92869824) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID92869824
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C21H23N3O2S/c1-15(12-13-16-8-4-3-5-9-16)22-19(25)14-27-20-21(26)24(2)18-11-7-6-10-17(18)23-20/h3-11,15H,12-14H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyNPORBHCHYDFXMZ-HNNXBMFYSA-N
XLogP3.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide with MolForge

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Related Compounds

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2624250
N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide
CID 25412067
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7145553
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
2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2488351
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 4683672
2-[[5-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 25361105
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 51571611
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 92869824) is 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide is C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2n(C)c1=O.
What is the InChIKey of 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is NPORBHCHYDFXMZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15(12-13-16-8-4-3-5-9-16)22-19(25)14-27-20-21(26)24(2)18-11-7-6-10-17(18)23-20/h3-11,15H,12-14H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 92869824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).