N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide

C20H21N3O4S — CID 39948388

IUPACN-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O4S/c1-14(13-27-2)23-28(25,26)17-10-8-16(9-11-17)22-20(24)18-7-3-5-15-6-4-12-21-19(15)18/h3-12,14,23H,13H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyLVTOFTHWTNOSDX-AWEZNQCLSA-N
MW399.47 g/mol
LogP2.80
Rot. Bonds7

About N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide

N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide (PubChem CID 39948388) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide
PubChem CID39948388
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O4S/c1-14(13-27-2)23-28(25,26)17-10-8-16(9-11-17)22-20(24)18-7-3-5-15-6-4-12-21-19(15)18/h3-12,14,23H,13H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyLVTOFTHWTNOSDX-AWEZNQCLSA-N
XLogP2.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 42999581
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 47004794
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899
5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 42906818
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55606320
4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide (CID 39948388) is N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide is COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide?
The InChIKey is LVTOFTHWTNOSDX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14(13-27-2)23-28(25,26)17-10-8-16(9-11-17)22-20(24)18-7-3-5-15-6-4-12-21-19(15)18/h3-12,14,23H,13H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide?
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 39948388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).