N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide

C22H24N4O4S — CID 121193506

IUPACN-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C22H24N4O4S/c1-15-9-10-20(24-16(2)27)21(12-15)31(29,30)25-11-5-6-17(13-25)26-14-23-19-8-4-3-7-18(19)22(26)28/h3-4,7-10,12,14,17H,5-6,11,13H2,1-2H3,(H,24,27)
InChIKeyUMIIGDKADSKRHY-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.69
Rot. Bonds4

About N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 121193506) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID121193506
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C22H24N4O4S/c1-15-9-10-20(24-16(2)27)21(12-15)31(29,30)25-11-5-6-17(13-25)26-14-23-19-8-4-3-7-18(19)22(26)28/h3-4,7-10,12,14,17H,5-6,11,13H2,1-2H3,(H,24,27)
InChIKeyUMIIGDKADSKRHY-UHFFFAOYSA-N
XLogP2.69
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349
3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113784
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113768
6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole
CID 122608654
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 23936110
dimethyl 5-[3-(benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 154859167
4-(6-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 50828302
3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one
CID 121021700
(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide
CID 1455613
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 125061964
N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 46287370

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 121193506) is N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCC(n2cnc3ccccc3c2=O)C1.
What is the InChIKey of N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is UMIIGDKADSKRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-9-10-20(24-16(2)27)21(12-15)31(29,30)25-11-5-6-17(13-25)26-14-23-19-8-4-3-7-18(19)22(26)28/h3-4,7-10,12,14,17H,5-6,11,13H2,1-2H3,(H,24,27).
What are the key properties of N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 440.53 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 121193506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).