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

C19H23N3O3S — CID 142296519

IUPACN-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
SMILESCC[C@H]1C(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2N1C
InChIInChI=1S/C19H23N3O3S/c1-5-16-19(23)22(4)17-11-8-14(12-18(17)21(16)3)20-26(24,25)15-9-6-13(2)7-10-15/h6-12,16,20H,5H2,1-4H3/t16-/m0/s1
InChIKeyNTYLSQUODPDYLG-INIZCTEOSA-N
MW373.48 g/mol
LogP2.99
Rot. Bonds4

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

N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide (PubChem CID 142296519) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
PubChem CID142296519
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
SMILESCC[C@H]1C(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2N1C
InChIInChI=1S/C19H23N3O3S/c1-5-16-19(23)22(4)17-11-8-14(12-18(17)21(16)3)20-26(24,25)15-9-6-13(2)7-10-15/h6-12,16,20H,5H2,1-4H3/t16-/m0/s1
InChIKeyNTYLSQUODPDYLG-INIZCTEOSA-N
XLogP2.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide (CID 142296519) is N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide is CC[C@H]1C(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2N1C.
What is the InChIKey of N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The InChIKey is NTYLSQUODPDYLG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-5-16-19(23)22(4)17-11-8-14(12-18(17)21(16)3)20-26(24,25)15-9-6-13(2)7-10-15/h6-12,16,20H,5H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-ethyl-1,4-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 142296519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).