N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide

C20H25N3O4S — CID 142296539

IUPACN-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
SMILESCOCCN1c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C(=O)C1C
InChIInChI=1S/C20H25N3O4S/c1-14-5-8-17(9-6-14)28(25,26)21-16-7-10-18-19(13-16)23(11-12-27-4)15(2)20(24)22(18)3/h5-10,13,15,21H,11-12H2,1-4H3
InChIKeyALNCMNYCKNFOOK-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.61
Rot. Bonds6

About N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide

N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide (PubChem CID 142296539) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
PubChem CID142296539
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
SMILESCOCCN1c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C(=O)C1C
InChIInChI=1S/C20H25N3O4S/c1-14-5-8-17(9-6-14)28(25,26)21-16-7-10-18-19(13-16)23(11-12-27-4)15(2)20(24)22(18)3/h5-10,13,15,21H,11-12H2,1-4H3
InChIKeyALNCMNYCKNFOOK-UHFFFAOYSA-N
XLogP2.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide (CID 142296539) is N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide is COCCN1c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C(=O)C1C.
What is the InChIKey of N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The InChIKey is ALNCMNYCKNFOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-5-8-17(9-6-14)28(25,26)21-16-7-10-18-19(13-16)23(11-12-27-4)15(2)20(24)22(18)3/h5-10,13,15,21H,11-12H2,1-4H3.
What are the key properties of N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 142296539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).