N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C22H24N4O5S — CID 3992657

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C22H24N4O5S/c1-31-20-10-9-16(32(29,30)26-11-5-2-6-12-26)13-19(20)24-21(27)14-25-15-23-18-8-4-3-7-17(18)22(25)28/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,24,27)
InChIKeyNLGCZKDQHYKICF-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.22
Rot. Bonds6

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 3992657) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID3992657
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C22H24N4O5S/c1-31-20-10-9-16(32(29,30)26-11-5-2-6-12-26)13-19(20)24-21(27)14-25-15-23-18-8-4-3-7-17(18)22(25)28/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,24,27)
InChIKeyNLGCZKDQHYKICF-UHFFFAOYSA-N
XLogP2.22
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4839884
N-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
CID 135531972
[2-[5-(Dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 4844513
N-(2-Methoxy-5-methylphenyl)-3-[2-(4-oxo-3,4-dihydroquinazolin-3-YL)acetamido]propanamide
CID 15994104
N-Benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 1109506
N~2~-(2-ethoxyphenyl)-N~2~-(methylsulfonyl)-N-[2-(morpholin-4-ylcarbonyl)phenyl]glycinamide
CID 1295478
2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-morpholinyl)phenyl]benzamide
CID 2332871
2-({3-[2-(acetylamino)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}thio)-N-(2-methoxyphenyl)acetamide
CID 3239034
3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799976
N-(2-Methoxyphenyl)-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-3H,4H-thieno[2,3-D]pyrimidin-3-YL]acetamide
CID 5128627
N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-methylbenzamide
CID 6461849
N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide
CID 6492315

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 3992657) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NLGCZKDQHYKICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-31-20-10-9-16(32(29,30)26-11-5-2-6-12-26)13-19(20)24-21(27)14-25-15-23-18-8-4-3-7-17(18)22(25)28/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,24,27).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 456.52 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 3992657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).