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

C20H25N3O3S — CID 142296520

IUPACN-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)C)C(C)C(=O)N3C)cc1
InChIInChI=1S/C20H25N3O3S/c1-13(2)23-15(4)20(24)22(5)18-11-8-16(12-19(18)23)21-27(25,26)17-9-6-14(3)7-10-17/h6-13,15,21H,1-5H3
InChIKeySTEIGLAGBTVCDC-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.38
Rot. Bonds4

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

N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide (PubChem CID 142296520) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
PubChem CID142296520
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)C)C(C)C(=O)N3C)cc1
InChIInChI=1S/C20H25N3O3S/c1-13(2)23-15(4)20(24)22(5)18-11-8-16(12-19(18)23)21-27(25,26)17-9-6-14(3)7-10-17/h6-13,15,21H,1-5H3
InChIKeySTEIGLAGBTVCDC-UHFFFAOYSA-N
XLogP3.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide 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

2-(3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-4H-quinoxalin-2-yl)-N-phenyl-acetamide
CID 653087
4-(4-Tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 991971
N-[4-(dimethylamino)phenyl]-3-{4-[(4-isopropylphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3241036
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-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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide (CID 142296520) is N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)C)C(C)C(=O)N3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is STEIGLAGBTVCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13(2)23-15(4)20(24)22(5)18-11-8-16(12-19(18)23)21-27(25,26)17-9-6-14(3)7-10-17/h6-13,15,21H,1-5H3.
What are the key properties of N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 142296520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).