2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide

C21H28N2O5S2 — CID 42064984

IUPAC2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)CCc3ccc(OC)cc3)ccc21
InChIInChI=1S/C21H28N2O5S2/c1-3-14-30(26,27)23-13-4-5-18-16-19(8-11-21(18)23)22-29(24,25)15-12-17-6-9-20(28-2)10-7-17/h6-11,16,22H,3-5,12-15H2,1-2H3
InChIKeySHYQRXGIZBFADZ-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.17
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide

2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide (PubChem CID 42064984) has the molecular formula C21H28N2O5S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide
PubChem CID42064984
Molecular FormulaC21H28N2O5S2
Molecular Weight452.60 g/mol
Exact Mass452.14
IUPAC Name2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)CCc3ccc(OC)cc3)ccc21
InChIInChI=1S/C21H28N2O5S2/c1-3-14-30(26,27)23-13-4-5-18-16-19(8-11-21(18)23)22-29(24,25)15-12-17-6-9-20(28-2)10-7-17/h6-11,16,22H,3-5,12-15H2,1-2H3
InChIKeySHYQRXGIZBFADZ-UHFFFAOYSA-N
XLogP3.17
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-sulfonamide
CID 71271805
3-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
CID 71272103
1-Benzylsulfonyl-4-(4-methoxyphenyl)piperazine
CID 895241
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4796545
N-{2-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenoxy]ethyl}methanesulfonamide
CID 1811256
3-[1-(4-methoxyphenyl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]-N-methylpropan-1-amine
CID 25029790
N-[1-[(4-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide
CID 155525086
4-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-methoxybenzyl)benzenesulfonamide
CID 7517116
4-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(3-methoxybenzyl)benzenesulfonamide
CID 7517138
4-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(2-methoxybenzyl)benzenesulfonamide
CID 7517156
3-Fluoro-4-methoxy-N-[1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-YL]benzene-1-sulfonamide
CID 16028211
4-ethoxy-N-[1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzene-1-sulfonamide
CID 16028213

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide (CID 42064984) is 2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide is CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)CCc3ccc(OC)cc3)ccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide?
The InChIKey is SHYQRXGIZBFADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S2/c1-3-14-30(26,27)23-13-4-5-18-16-19(8-11-21(18)23)22-29(24,25)15-12-17-6-9-20(28-2)10-7-17/h6-11,16,22H,3-5,12-15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide?
2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide has a molecular weight of 452.60 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanesulfonamide is sourced from PubChem (CID 42064984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).