2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine

C20H25N3O3S2 — CID 71664313

IUPAC2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine
SMILESCOc1ccc2c(c1)N(C)CC(C)N2S(=O)(=O)c1ccc(N2CCCS2)cc1
InChIInChI=1S/C20H25N3O3S2/c1-15-14-21(2)20-13-17(26-3)7-10-19(20)23(15)28(24,25)18-8-5-16(6-9-18)22-11-4-12-27-22/h5-10,13,15H,4,11-12,14H2,1-3H3
InChIKeyYWQJHGUWLDIUJM-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.59
Rot. Bonds4

About 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine

2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine (PubChem CID 71664313) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine.

Molecular Properties

Compound Name2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine
PubChem CID71664313
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine
SMILESCOc1ccc2c(c1)N(C)CC(C)N2S(=O)(=O)c1ccc(N2CCCS2)cc1
InChIInChI=1S/C20H25N3O3S2/c1-15-14-21(2)20-13-17(26-3)7-10-19(20)23(15)28(24,25)18-8-5-16(6-9-18)22-11-4-12-27-22/h5-10,13,15H,4,11-12,14H2,1-3H3
InChIKeyYWQJHGUWLDIUJM-UHFFFAOYSA-N
XLogP3.59
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine with MolForge

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Related Compounds

(4R)-4-hydroxy-1-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 71664347
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239527
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
(4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one
CID 7126501
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
4-(4-iodophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
CID 5167462
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
CID 7320788
10-methoxy-6-(4-methylphenyl)sulfonyl-3,4,5,7-tetrahydro-2H-1,6-benzothiazonine
CID 177401546

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine?
The IUPAC name of 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine (CID 71664313) is 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine.
What is the SMILES notation for 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine?
The canonical SMILES for 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine is COc1ccc2c(c1)N(C)CC(C)N2S(=O)(=O)c1ccc(N2CCCS2)cc1.
What is the InChIKey of 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine?
The InChIKey is YWQJHGUWLDIUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-15-14-21(2)20-13-17(26-3)7-10-19(20)23(15)28(24,25)18-8-5-16(6-9-18)22-11-4-12-27-22/h5-10,13,15H,4,11-12,14H2,1-3H3.
What are the key properties of 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine?
2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine has a molecular weight of 419.57 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-2,4-dimethyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]-1,2-thiazolidine is sourced from PubChem (CID 71664313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).