N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide

C19H19N3O4S — CID 166187188

IUPACN-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)c(C)c2)c2cccnc12
InChIInChI=1S/C19H19N3O4S/c1-12-11-14(6-7-16(12)21-13(2)23)22-27(24,25)18-9-8-17(26-3)19-15(18)5-4-10-20-19/h4-11,22H,1-3H3,(H,21,23)
InChIKeyZOMARRBBFRJDKT-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.31
Rot. Bonds5

About N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide

N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide (PubChem CID 166187188) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide
PubChem CID166187188
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)c(C)c2)c2cccnc12
InChIInChI=1S/C19H19N3O4S/c1-12-11-14(6-7-16(12)21-13(2)23)22-27(24,25)18-9-8-17(26-3)19-15(18)5-4-10-20-19/h4-11,22H,1-3H3,(H,21,23)
InChIKeyZOMARRBBFRJDKT-UHFFFAOYSA-N
XLogP3.31
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide
CID 167755588
8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide
CID 60534314
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
8-methoxyquinoline-5-sulfonyl fluoride
CID 165461293
N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
CID 55901202
N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
N-[4-[(2-fluorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 60527169
8-methoxy-N-prop-2-enylquinoline-5-sulfonamide
CID 624168
8-fluoro-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 31914288
N-(5-chloro-2-methylphenyl)-8-ethoxyquinoline-5-sulfonamide
CID 15998973
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide (CID 166187188) is N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide is COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)c(C)c2)c2cccnc12.
What is the InChIKey of N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide?
The InChIKey is ZOMARRBBFRJDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-11-14(6-7-16(12)21-13(2)23)22-27(24,25)18-9-8-17(26-3)19-15(18)5-4-10-20-19/h4-11,22H,1-3H3,(H,21,23).
What are the key properties of N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide?
N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-methoxyquinolin-5-yl)sulfonylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 166187188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).