N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C23H26N4O5S — CID 135531972

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O5S/c1-32-19-10-9-16(15-20(19)33(30,31)27-13-5-2-6-14-27)24-22(28)12-11-21-25-18-8-4-3-7-17(18)23(29)26-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyBJGDMGNLRQGKMR-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.68
Rot. Bonds7

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135531972) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135531972
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O5S/c1-32-19-10-9-16(15-20(19)33(30,31)27-13-5-2-6-14-27)24-22(28)12-11-21-25-18-8-4-3-7-17(18)23(29)26-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyBJGDMGNLRQGKMR-UHFFFAOYSA-N
XLogP2.68
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 4839884
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CID 4651552
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 4849252
2-[(5-acetamido-2-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 4876833
4-(4-ethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 16278985
2-(3-benzyl-6-methoxy-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 118714990
N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 132609298
N-[(2-methoxyphenyl)methyl]-4-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzenesulfonamide
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2-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}quinazolin-4(1H)-one
CID 135448838
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135768630
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135802886
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135531972) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is COc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is BJGDMGNLRQGKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-32-19-10-9-16(15-20(19)33(30,31)27-13-5-2-6-14-27)24-22(28)12-11-21-25-18-8-4-3-7-17(18)23(29)26-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,28)(H,25,26,29).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 470.55 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135531972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).