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

C21H27N3O3S — CID 142296532

IUPACN-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(C)C(=O)N3C)cc1
InChIInChI=1S/C21H27N3O3S/c1-14(2)13-24-16(4)21(25)23(5)19-11-8-17(12-20(19)24)22-28(26,27)18-9-6-15(3)7-10-18/h6-12,14,16,22H,13H2,1-5H3
InChIKeyRQPKKSVEMBJZOS-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.62
Rot. Bonds5

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

N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide (PubChem CID 142296532) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
PubChem CID142296532
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(C)C(=O)N3C)cc1
InChIInChI=1S/C21H27N3O3S/c1-14(2)13-24-16(4)21(25)23(5)19-11-8-17(12-20(19)24)22-28(26,27)18-9-6-15(3)7-10-18/h6-12,14,16,22H,13H2,1-5H3
InChIKeyRQPKKSVEMBJZOS-UHFFFAOYSA-N
XLogP3.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
CID 142296520
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-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide (CID 142296532) is N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(C)C(=O)N3C)cc1.
What is the InChIKey of N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
The InChIKey is RQPKKSVEMBJZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-14(2)13-24-16(4)21(25)23(5)19-11-8-17(12-20(19)24)22-28(26,27)18-9-6-15(3)7-10-18/h6-12,14,16,22H,13H2,1-5H3.
What are the key properties of N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide?
N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide has a molecular weight of 401.53 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 142296532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).