N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

C23H25FN4O4S — CID 43059517

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc4ccc(F)cc4c3=O)cc2)C1
InChIInChI=1S/C23H25FN4O4S/c1-15-9-16(2)12-28(11-15)33(31,32)19-6-4-18(5-7-19)26-22(29)13-27-14-25-21-8-3-17(24)10-20(21)23(27)30/h3-8,10,14-16H,9,11-13H2,1-2H3,(H,26,29)
InChIKeyIEUAUXFZLLHYRB-UHFFFAOYSA-N
MW472.54 g/mol
LogP2.84
Rot. Bonds5

About N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 43059517) has the molecular formula C23H25FN4O4S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID43059517
Molecular FormulaC23H25FN4O4S
Molecular Weight472.54 g/mol
Exact Mass472.16
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc4ccc(F)cc4c3=O)cc2)C1
InChIInChI=1S/C23H25FN4O4S/c1-15-9-16(2)12-28(11-15)33(31,32)19-6-4-18(5-7-19)26-22(29)13-27-14-25-21-8-3-17(24)10-20(21)23(27)30/h3-8,10,14-16H,9,11-13H2,1-2H3,(H,26,29)
InChIKeyIEUAUXFZLLHYRB-UHFFFAOYSA-N
XLogP2.84
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 25486257
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840318
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1259847
2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-quinolin-3-ylacetamide
CID 6619032
2-[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30837051
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 51648542
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
CID 43030164

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 43059517) is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc4ccc(F)cc4c3=O)cc2)C1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is IEUAUXFZLLHYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S/c1-15-9-16(2)12-28(11-15)33(31,32)19-6-4-18(5-7-19)26-22(29)13-27-14-25-21-8-3-17(24)10-20(21)23(27)30/h3-8,10,14-16H,9,11-13H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 472.54 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 43059517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).