N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide

C24H21N3OS — CID 23654612

IUPACN-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide
SMILESCSc1ccc(CN(Cc2ccccc2)C(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C24H21N3OS/c1-29-21-10-7-19(8-11-21)17-27(16-18-5-3-2-4-6-18)24(28)20-9-12-22-23(15-20)26-14-13-25-22/h2-15H,16-17H2,1H3
InChIKeyRPTJKBZUIHGCFU-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.19
Rot. Bonds6

About N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide

N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide (PubChem CID 23654612) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide
PubChem CID23654612
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC NameN-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide
SMILESCSc1ccc(CN(Cc2ccccc2)C(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C24H21N3OS/c1-29-21-10-7-19(8-11-21)17-27(16-18-5-3-2-4-6-18)24(28)20-9-12-22-23(15-20)26-14-13-25-22/h2-15H,16-17H2,1H3
InChIKeyRPTJKBZUIHGCFU-UHFFFAOYSA-N
XLogP5.19
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 74241327
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
CID 110692583
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683
N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide (CID 23654612) is N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide is CSc1ccc(CN(Cc2ccccc2)C(=O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide?
The InChIKey is RPTJKBZUIHGCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-29-21-10-7-19(8-11-21)17-27(16-18-5-3-2-4-6-18)24(28)20-9-12-22-23(15-20)26-14-13-25-22/h2-15H,16-17H2,1H3.
What are the key properties of N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide?
N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 23654612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).