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

C26H28N2O5S — CID 17320225

IUPACN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1OCC
InChIInChI=1S/C26H28N2O5S/c1-3-32-24-16-11-20(18-25(24)33-4-2)26(29)27-21-12-14-22(15-13-21)34(30,31)28-17-7-9-19-8-5-6-10-23(19)28/h5-6,8,10-16,18H,3-4,7,9,17H2,1-2H3,(H,27,29)
InChIKeyZQRSUJBCMQJXIM-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.88
Rot. Bonds8

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

N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide (PubChem CID 17320225) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
PubChem CID17320225
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1OCC
InChIInChI=1S/C26H28N2O5S/c1-3-32-24-16-11-20(18-25(24)33-4-2)26(29)27-21-12-14-22(15-13-21)34(30,31)28-17-7-9-19-8-5-6-10-23(19)28/h5-6,8,10-16,18H,3-4,7,9,17H2,1-2H3,(H,27,29)
InChIKeyZQRSUJBCMQJXIM-UHFFFAOYSA-N
XLogP4.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 27655748
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
3,4-diethoxy-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637193
ethyl 4-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]benzoate
CID 25237394
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2159002
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 46262869
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
3,4-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16825758
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 55916648
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 4937060
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30267246

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide (CID 17320225) is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1OCC.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide?
The InChIKey is ZQRSUJBCMQJXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-3-32-24-16-11-20(18-25(24)33-4-2)26(29)27-21-12-14-22(15-13-21)34(30,31)28-17-7-9-19-8-5-6-10-23(19)28/h5-6,8,10-16,18H,3-4,7,9,17H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide?
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide has a molecular weight of 480.59 g/mol, XLogP of 4.88, 8 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]-3,4-diethoxybenzamide is sourced from PubChem (CID 17320225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).