5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen

C26H27N3O4S — CID 159626973

IUPAC5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen
SMILESCC[C@H](NC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccc2cccnc12)c1ccccc1.[H][H]
InChIInChI=1S/C26H25N3O4S.H2/c1-3-22(18-9-5-4-6-10-18)28-26(30)21-17-20(33-2)14-15-23(21)29-34(31,32)24-13-7-11-19-12-8-16-27-25(19)24;/h4-17,22,29H,3H2,1-2H3,(H,28,30);1H/t22-;/m0./s1
InChIKeyMOPUOKWMBKFJGI-FTBISJDPSA-N
MW477.59 g/mol
LogP5.17
Rot. Bonds8

About 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen

5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen (PubChem CID 159626973) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen.

Molecular Properties

Compound Name5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen
PubChem CID159626973
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen
SMILESCC[C@H](NC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccc2cccnc12)c1ccccc1.[H][H]
InChIInChI=1S/C26H25N3O4S.H2/c1-3-22(18-9-5-4-6-10-18)28-26(30)21-17-20(33-2)14-15-23(21)29-34(31,32)24-13-7-11-19-12-8-16-27-25(19)24;/h4-17,22,29H,3H2,1-2H3,(H,28,30);1H/t22-;/m0./s1
InChIKeyMOPUOKWMBKFJGI-FTBISJDPSA-N
XLogP5.17
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-(1-phenylprop-2-ynyl)-2-(quinolin-8-ylsulfonylamino)benzamide;5-methoxy-N-[(1S)-1-phenylpropyl]-2-(pyridin-2-ylsulfonylamino)benzamide;5-methoxy-N-(1-phenylprop-2-ynyl)-2-(quinolin-8-ylsulfonylamino)benzamide;N-[(1S)-1-phenylpropyl]-2-(pyridin-2-ylsulfonylamino)benzamide;N-(1-phenylprop-2-ynyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 158914086
N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 20796159
5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide
CID 58892109
5-fluoro-N-[1-[2-(2-iminoethyl)phenyl]propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 163644939
5-methoxy-2-[(4-methylphenyl)sulfonylamino]-N-[1-(6-methyl-3-pyridinyl)propyl]benzamide
CID 58892006
sodium [4-fluoro-2-[[(1S)-1-phenylpropyl]carbamoyl]phenyl]-quinolin-8-ylsulfonylazanide
CID 24852044
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
N-[2-methoxy-4-[4-(2-phenylpropyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 67505028
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen?
The IUPAC name of 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen (CID 159626973) is 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen.
What is the SMILES notation for 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen?
The canonical SMILES for 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen is CC[C@H](NC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cccc2cccnc12)c1ccccc1.[H][H].
What is the InChIKey of 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen?
The InChIKey is MOPUOKWMBKFJGI-FTBISJDPSA-N. The full InChI is InChI=1S/C26H25N3O4S.H2/c1-3-22(18-9-5-4-6-10-18)28-26(30)21-17-20(33-2)14-15-23(21)29-34(31,32)24-13-7-11-19-12-8-16-27-25(19)24;/h4-17,22,29H,3H2,1-2H3,(H,28,30);1H/t22-;/m0./s1.
What are the key properties of 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen?
5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen has a molecular weight of 477.59 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen is sourced from PubChem (CID 159626973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).