N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C23H22N2O3S — CID 46557664

IUPACN-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)c3ccccc3)ccc2N1
InChIInChI=1S/C23H22N2O3S/c26-23-14-11-19-16-20(12-13-21(19)24-23)29(27,28)25-22(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-10,12-13,16,22,25H,11,14-15H2,(H,24,26)
InChIKeyHHAINDUSXWIBPK-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.83
Rot. Bonds6

About N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 46557664) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID46557664
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)c3ccccc3)ccc2N1
InChIInChI=1S/C23H22N2O3S/c26-23-14-11-19-16-20(12-13-21(19)24-23)29(27,28)25-22(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-10,12-13,16,22,25H,11,14-15H2,(H,24,26)
InChIKeyHHAINDUSXWIBPK-UHFFFAOYSA-N
XLogP3.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 92665630
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide
CID 20865784
N-[4-(4-chlorophenyl)-2-oxo-1-phenylbutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 146798513
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46564543
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
N-cyclohexyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864416
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865785
N-[2-(3-methylphenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865828
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865834
N-[3-(N-methylanilino)propyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865835
(2S)-N-(3,3-diethoxypropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 92665559
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864439

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 46557664) is N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)c3ccccc3)ccc2N1.
What is the InChIKey of N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is HHAINDUSXWIBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c26-23-14-11-19-16-20(12-13-21(19)24-23)29(27,28)25-22(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-10,12-13,16,22,25H,11,14-15H2,(H,24,26).
What are the key properties of N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 406.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 46557664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).