1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide

C21H22N4O5S — CID 155950059

IUPAC1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NS(=O)(=O)Cc3ccc(C(=O)NC)cc3)ccc21
InChIInChI=1S/C21H22N4O5S/c1-4-25-18-10-9-16(11-17(18)23-13(2)21(25)28)20(27)24-31(29,30)12-14-5-7-15(8-6-14)19(26)22-3/h5-11H,4,12H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyYFZIIVGOAZZHAQ-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.34
Rot. Bonds6

About 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide

1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide (PubChem CID 155950059) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide
PubChem CID155950059
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC Name1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NS(=O)(=O)Cc3ccc(C(=O)NC)cc3)ccc21
InChIInChI=1S/C21H22N4O5S/c1-4-25-18-10-9-16(11-17(18)23-13(2)21(25)28)20(27)24-31(29,30)12-14-5-7-15(8-6-14)19(26)22-3/h5-11H,4,12H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyYFZIIVGOAZZHAQ-UHFFFAOYSA-N
XLogP1.34
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
CID 24659166
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 53058290
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide
CID 24538873
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 24586415
1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058291

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide (CID 155950059) is 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)NS(=O)(=O)Cc3ccc(C(=O)NC)cc3)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide?
The InChIKey is YFZIIVGOAZZHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-4-25-18-10-9-16(11-17(18)23-13(2)21(25)28)20(27)24-31(29,30)12-14-5-7-15(8-6-14)19(26)22-3/h5-11H,4,12H2,1-3H3,(H,22,26)(H,24,27).
What are the key properties of 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide?
1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[[4-(methylcarbamoyl)phenyl]methylsulfonyl]-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 155950059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).