1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C25H27N3O3S — CID 55988635

IUPAC1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3cccnc3)Cc3ccccc3C)ccc21
InChIInChI=1S/C25H27N3O3S/c1-19-7-3-4-9-23(19)18-27(17-21-8-5-13-26-16-21)32(30,31)24-11-12-25-22(15-24)10-6-14-28(25)20(2)29/h3-5,7-9,11-13,15-16H,6,10,14,17-18H2,1-2H3
InChIKeyYLXNJKATMYGTHQ-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.08
Rot. Bonds6

About 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55988635) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55988635
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3cccnc3)Cc3ccccc3C)ccc21
InChIInChI=1S/C25H27N3O3S/c1-19-7-3-4-9-23(19)18-27(17-21-8-5-13-26-16-21)32(30,31)24-11-12-25-22(15-24)10-6-14-28(25)20(2)29/h3-5,7-9,11-13,15-16H,6,10,14,17-18H2,1-2H3
InChIKeyYLXNJKATMYGTHQ-UHFFFAOYSA-N
XLogP4.08
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247846
N,N-dibenzyl-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247947
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
CID 158402644
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
3-chloro-4-(difluoromethoxy)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 55987865
1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 110400314
5-chloro-1,3-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 55987992
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361610
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
CID 24510126

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55988635) is 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3cccnc3)Cc3ccccc3C)ccc21.
What is the InChIKey of 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is YLXNJKATMYGTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-19-7-3-4-9-23(19)18-27(17-21-8-5-13-26-16-21)32(30,31)24-11-12-25-22(15-24)10-6-14-28(25)20(2)29/h3-5,7-9,11-13,15-16H,6,10,14,17-18H2,1-2H3.
What are the key properties of 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 449.58 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55988635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).