N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C20H20N4O5S — CID 2220150

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H20N4O5S/c25-19(13-23-14-21-18-4-2-1-3-17(18)20(23)26)22-15-5-7-16(8-6-15)30(27,28)24-9-11-29-12-10-24/h1-8,14H,9-13H2,(H,22,25)
InChIKeyJTIIHZSIMVIDIF-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.06
Rot. Bonds5

About N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2220150) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2220150
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H20N4O5S/c25-19(13-23-14-21-18-4-2-1-3-17(18)20(23)26)22-15-5-7-16(8-6-15)30(27,28)24-9-11-29-12-10-24/h1-8,14H,9-13H2,(H,22,25)
InChIKeyJTIIHZSIMVIDIF-UHFFFAOYSA-N
XLogP1.06
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 2220150) is N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JTIIHZSIMVIDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c25-19(13-23-14-21-18-4-2-1-3-17(18)20(23)26)22-15-5-7-16(8-6-15)30(27,28)24-9-11-29-12-10-24/h1-8,14H,9-13H2,(H,22,25).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 428.47 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2220150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).