N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide

C22H25N3O5S — CID 23603123

IUPACN-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C22H25N3O5S/c1-4-25(15-16-8-6-5-7-9-16)20(26)12-13-31(29,30)17-10-11-18-19(14-17)24(3)22(28)21(27)23(18)2/h5-11,14H,4,12-13,15H2,1-3H3
InChIKeyBENNWRWGROATPX-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.45
Rot. Bonds7

About N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide

N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide (PubChem CID 23603123) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide
PubChem CID23603123
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C22H25N3O5S/c1-4-25(15-16-8-6-5-7-9-16)20(26)12-13-31(29,30)17-10-11-18-19(14-17)24(3)22(28)21(27)23(18)2/h5-11,14H,4,12-13,15H2,1-3H3
InChIKeyBENNWRWGROATPX-UHFFFAOYSA-N
XLogP1.45
TPSA98.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide (CID 23603123) is N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide?
The InChIKey is BENNWRWGROATPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-25(15-16-8-6-5-7-9-16)20(26)12-13-31(29,30)17-10-11-18-19(14-17)24(3)22(28)21(27)23(18)2/h5-11,14H,4,12-13,15H2,1-3H3.
What are the key properties of N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide?
N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide has a molecular weight of 443.53 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-ethylpropanamide is sourced from PubChem (CID 23603123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).