2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide

C18H18N2O5S — CID 75415660

IUPAC2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
SMILESCOCc1ccccc1C(=O)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H18N2O5S/c1-25-11-13-4-2-3-5-15(13)18(22)20-26(23,24)14-7-8-16-12(10-14)6-9-17(21)19-16/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyVTROCDPVRHPZRV-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.84
Rot. Bonds5

About 2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide

2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide (PubChem CID 75415660) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
PubChem CID75415660
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
SMILESCOCc1ccccc1C(=O)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H18N2O5S/c1-25-11-13-4-2-3-5-15(13)18(22)20-26(23,24)14-7-8-16-12(10-14)6-9-17(21)19-16/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyVTROCDPVRHPZRV-UHFFFAOYSA-N
XLogP1.84
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide
CID 8514954
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
CID 154805757
2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide
CID 155960607
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864439
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]acetamide
CID 8801657
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
CID 41012958
N-(3-carbazol-9-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 154858696
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
(2S)-N-(4-acetamidophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 92665630
2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide
CID 8515699
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(3-phenylpropyl)propanamide
CID 20865784
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide?
The IUPAC name of 2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide (CID 75415660) is 2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide?
The canonical SMILES for 2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide is COCc1ccccc1C(=O)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide?
The InChIKey is VTROCDPVRHPZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-25-11-13-4-2-3-5-15(13)18(22)20-26(23,24)14-7-8-16-12(10-14)6-9-17(21)19-16/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide?
2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide has a molecular weight of 374.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide is sourced from PubChem (CID 75415660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).