4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide

C25H25N3O2S — CID 92869678

IUPAC4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1)c1cccs1
InChIInChI=1S/C25H25N3O2S/c1-3-7-21(23-10-6-15-31-23)27-24(29)19-13-11-18(12-14-19)16-28-22-9-5-4-8-20(22)26-17(2)25(28)30/h4-6,8-15,21H,3,7,16H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyUAZJNPHTHWSOQN-OAQYLSRUSA-N
MW431.56 g/mol
LogP5.09
Rot. Bonds7

About 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide

4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide (PubChem CID 92869678) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide.

Molecular Properties

Compound Name4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide
PubChem CID92869678
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1)c1cccs1
InChIInChI=1S/C25H25N3O2S/c1-3-7-21(23-10-6-15-31-23)27-24(29)19-13-11-18(12-14-19)16-28-22-9-5-4-8-20(22)26-17(2)25(28)30/h4-6,8-15,21H,3,7,16H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyUAZJNPHTHWSOQN-OAQYLSRUSA-N
XLogP5.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 92869667
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide
CID 46324669
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46324693
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide
CID 46357392
N-[(1S)-1-thiophen-2-ylbutyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 92869655
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645
2-[4-[(4-methylphenyl)methyl]-2,3-dioxopyrido[2,3-b]pyrazin-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide
CID 53030682
1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 53058343
4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide
CID 178026796

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide?
The IUPAC name of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide (CID 92869678) is 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide.
What is the SMILES notation for 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide?
The canonical SMILES for 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide is CCC[C@@H](NC(=O)c1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1)c1cccs1.
What is the InChIKey of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide?
The InChIKey is UAZJNPHTHWSOQN-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-3-7-21(23-10-6-15-31-23)27-24(29)19-13-11-18(12-14-19)16-28-22-9-5-4-8-20(22)26-17(2)25(28)30/h4-6,8-15,21H,3,7,16H2,1-2H3,(H,27,29)/t21-/m1/s1.
What are the key properties of 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide?
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[(1R)-1-thiophen-2-ylbutyl]benzamide is sourced from PubChem (CID 92869678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).