N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide

C26H26N2O5S — CID 161104350

IUPACN-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide
SMILESCOc1cccc(CNC(=O)C(CS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c1
InChIInChI=1S/C26H26N2O5S/c1-33-21-9-5-6-18(14-21)16-27-26(30)23(19-7-3-2-4-8-19)17-34(31,32)22-11-12-24-20(15-22)10-13-25(29)28-24/h2-9,11-12,14-15,23H,10,13,16-17H2,1H3,(H,27,30)(H,28,29)
InChIKeyWJIXDGRCRAALFB-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.45
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide

N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide (PubChem CID 161104350) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide
PubChem CID161104350
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide
SMILESCOc1cccc(CNC(=O)C(CS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c1
InChIInChI=1S/C26H26N2O5S/c1-33-21-9-5-6-18(14-21)16-27-26(30)23(19-7-3-2-4-8-19)17-34(31,32)22-11-12-24-20(15-22)10-13-25(29)28-24/h2-9,11-12,14-15,23H,10,13,16-17H2,1H3,(H,27,30)(H,28,29)
InChIKeyWJIXDGRCRAALFB-UHFFFAOYSA-N
XLogP3.45
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862474
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 159368180
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864439
5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one
CID 18179648
N-(4-cycloheptyl-3-oxo-1-phenylbutan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;N-(2,4-dimethoxyphenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide;ethyl 1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate;N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide;N-(2-methylphenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide
CID 159902712
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865834
2-(3-methoxyphenyl)-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 110788667
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
N-[(3-methoxyphenyl)methyl]-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]propanamide
CID 53121967
N-[(4-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 122175155
2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 86918589
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide (CID 161104350) is N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide is COc1cccc(CNC(=O)C(CS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide?
The InChIKey is WJIXDGRCRAALFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5S/c1-33-21-9-5-6-18(14-21)16-27-26(30)23(19-7-3-2-4-8-19)17-34(31,32)22-11-12-24-20(15-22)10-13-25(29)28-24/h2-9,11-12,14-15,23H,10,13,16-17H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide?
N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide has a molecular weight of 478.57 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide is sourced from PubChem (CID 161104350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).