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

C22H27N3O3S — CID 142296577

IUPACN-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C2CCCC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C22H27N3O3S/c1-15-8-11-19(12-9-15)29(27,28)23-17-10-13-20-21(14-17)25(18-6-4-5-7-18)16(2)22(26)24(20)3/h8-14,16,18,23H,4-7H2,1-3H3
InChIKeyKSEJLMCYOJFZHE-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.91
Rot. Bonds4

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

N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide (PubChem CID 142296577) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
PubChem CID142296577
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C2CCCC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C22H27N3O3S/c1-15-8-11-19(12-9-15)29(27,28)23-17-10-13-20-21(14-17)25(18-6-4-5-7-18)16(2)22(26)24(20)3/h8-14,16,18,23H,4-7H2,1-3H3
InChIKeyKSEJLMCYOJFZHE-UHFFFAOYSA-N
XLogP3.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.91
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
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-ethyl-3-methyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
CID 142296576

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide (CID 142296577) is N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C2CCCC2)C(C)C(=O)N3C)cc1.
What is the InChIKey of N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is KSEJLMCYOJFZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-15-8-11-19(12-9-15)29(27,28)23-17-10-13-20-21(14-17)25(18-6-4-5-7-18)16(2)22(26)24(20)3/h8-14,16,18,23H,4-7H2,1-3H3.
What are the key properties of N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide?
N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 413.54 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 142296577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).