N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide

C24H24N2O4S2 — CID 17320710

IUPACN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H24N2O4S2/c1-30-23-16-19(31-2)11-14-21(23)24(27)25-18-9-12-20(13-10-18)32(28,29)26-15-5-7-17-6-3-4-8-22(17)26/h3-4,6,8-14,16H,5,7,15H2,1-2H3,(H,25,27)
InChIKeyYNBAPBVWDGOXIA-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.81
Rot. Bonds6

About N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide

N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 17320710) has the molecular formula C24H24N2O4S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID17320710
Molecular FormulaC24H24N2O4S2
Molecular Weight468.60 g/mol
Exact Mass468.12
IUPAC NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H24N2O4S2/c1-30-23-16-19(31-2)11-14-21(23)24(27)25-18-9-12-20(13-10-18)32(28,29)26-15-5-7-17-6-3-4-8-22(17)26/h3-4,6,8-14,16H,5,7,15H2,1-2H3,(H,25,27)
InChIKeyYNBAPBVWDGOXIA-UHFFFAOYSA-N
XLogP4.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide
CID 1078880
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187
2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide
CID 41300075
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
CID 17320225
N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 2124983
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 25237388
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-4,5-dimethoxy-2-nitrobenzamide
CID 18565110
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
5-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-methoxybenzamide
CID 27443748
2,6-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 43990338
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide (CID 17320710) is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is YNBAPBVWDGOXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2/c1-30-23-16-19(31-2)11-14-21(23)24(27)25-18-9-12-20(13-10-18)32(28,29)26-15-5-7-17-6-3-4-8-22(17)26/h3-4,6,8-14,16H,5,7,15H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 468.60 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 17320710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).