N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide

C23H29N3O3S — CID 142296576

IUPACN-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
SMILESCCN1C(=O)C(C)N(C2CCCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C23H29N3O3S/c1-4-25-21-14-11-18(24-30(28,29)20-12-9-16(2)10-13-20)15-22(21)26(17(3)23(25)27)19-7-5-6-8-19/h9-15,17,19,24H,4-8H2,1-3H3
InChIKeyHYTGEBHKZMGIKS-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.30
Rot. Bonds5

About N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide

N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide (PubChem CID 142296576) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
PubChem CID142296576
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
SMILESCCN1C(=O)C(C)N(C2CCCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C23H29N3O3S/c1-4-25-21-14-11-18(24-30(28,29)20-12-9-16(2)10-13-20)15-22(21)26(17(3)23(25)27)19-7-5-6-8-19/h9-15,17,19,24H,4-8H2,1-3H3
InChIKeyHYTGEBHKZMGIKS-UHFFFAOYSA-N
XLogP4.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide with MolForge

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Related Compounds

2-(3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-4H-quinoxalin-2-yl)-N-phenyl-acetamide
CID 653087
N-[4-(Diethylamino)phenyl]-2-{4-[4-(propan-2-YL)benzenesulfonyl]piperazin-1-YL}acetamide
CID 16034807
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-propionamide
CID 10072874
Cyclopropanecarboxylic acid (3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-amide
CID 10254142
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10343434
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-isobutyramide
CID 10367560
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-butyramide
CID 10412550
N-(1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 16823330
N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
CID 142296520
N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
CID 142296532
N-[4-(2-methoxyethyl)-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
CID 142296539
N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
CID 142296577

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide (CID 142296576) is N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide is CCN1C(=O)C(C)N(C2CCCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is HYTGEBHKZMGIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-4-25-21-14-11-18(24-30(28,29)20-12-9-16(2)10-13-20)15-22(21)26(17(3)23(25)27)19-7-5-6-8-19/h9-15,17,19,24H,4-8H2,1-3H3.
What are the key properties of N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyl-1-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 142296576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).