N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide

C22H18N4O3S — CID 118873483

IUPACN-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccncc3)c3cccnc23)cc1
InChIInChI=1S/C22H18N4O3S/c1-15(27)25-17-4-6-18(7-5-17)30(28,29)26-21-9-8-19(16-10-13-23-14-11-16)20-3-2-12-24-22(20)21/h2-14,26H,1H3,(H,25,27)
InChIKeyUPIYOQQQHWIQKF-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.06
Rot. Bonds5

About N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide

N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide (PubChem CID 118873483) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide
PubChem CID118873483
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC NameN-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccncc3)c3cccnc23)cc1
InChIInChI=1S/C22H18N4O3S/c1-15(27)25-17-4-6-18(7-5-17)30(28,29)26-21-9-8-19(16-10-13-23-14-11-16)20-3-2-12-24-22(20)21/h2-14,26H,1H3,(H,25,27)
InChIKeyUPIYOQQQHWIQKF-UHFFFAOYSA-N
XLogP4.06
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide (CID 118873483) is N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccncc3)c3cccnc23)cc1.
What is the InChIKey of N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is UPIYOQQQHWIQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-15(27)25-17-4-6-18(7-5-17)30(28,29)26-21-9-8-19(16-10-13-23-14-11-16)20-3-2-12-24-22(20)21/h2-14,26H,1H3,(H,25,27).
What are the key properties of N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 418.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-pyridin-4-ylquinolin-8-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 118873483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).