N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide

C26H25N3O5S — CID 142343691

IUPACN-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide
SMILESCOCCOc1ccccc1N(C)S(=O)(=O)c1cccc(NC(=O)c2ccc3cccnc3c2)c1
InChIInChI=1S/C26H25N3O5S/c1-29(24-10-3-4-11-25(24)34-16-15-33-2)35(31,32)22-9-5-8-21(18-22)28-26(30)20-13-12-19-7-6-14-27-23(19)17-20/h3-14,17-18H,15-16H2,1-2H3,(H,28,30)
InChIKeyBGASHPYDHSONLD-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.34
Rot. Bonds9

About N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide

N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide (PubChem CID 142343691) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide
PubChem CID142343691
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC NameN-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide
SMILESCOCCOc1ccccc1N(C)S(=O)(=O)c1cccc(NC(=O)c2ccc3cccnc3c2)c1
InChIInChI=1S/C26H25N3O5S/c1-29(24-10-3-4-11-25(24)34-16-15-33-2)35(31,32)22-9-5-8-21(18-22)28-26(30)20-13-12-19-7-6-14-27-23(19)17-20/h3-14,17-18H,15-16H2,1-2H3,(H,28,30)
InChIKeyBGASHPYDHSONLD-UHFFFAOYSA-N
XLogP4.34
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(quinoline-7-carbonylamino)benzenesulfonic acid
CID 142343655
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide
CID 25325336
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide
CID 55784053
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39260069
N-[3-(dimethylsulfamoyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 26654034
N-(3,4-dichlorophenyl)quinoline-7-carboxamide
CID 142343714
N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide
CID 143859399
N-[4-fluoro-3-(methylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 142343698
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
2-(2-methoxyethoxy)-1-quinolin-7-ylethanone
CID 114032528
3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 35186261

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide?
The IUPAC name of N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide (CID 142343691) is N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide?
The canonical SMILES for N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide is COCCOc1ccccc1N(C)S(=O)(=O)c1cccc(NC(=O)c2ccc3cccnc3c2)c1.
What is the InChIKey of N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide?
The InChIKey is BGASHPYDHSONLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-29(24-10-3-4-11-25(24)34-16-15-33-2)35(31,32)22-9-5-8-21(18-22)28-26(30)20-13-12-19-7-6-14-27-23(19)17-20/h3-14,17-18H,15-16H2,1-2H3,(H,28,30).
What are the key properties of N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide?
N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide is sourced from PubChem (CID 142343691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).