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

C21H22N4O4S — CID 4968798

IUPAC2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H22N4O4S/c26-20(14-24-15-22-19-10-3-2-9-18(19)21(24)27)23-16-7-6-8-17(13-16)30(28,29)25-11-4-1-5-12-25/h2-3,6-10,13,15H,1,4-5,11-12,14H2,(H,23,26)
InChIKeyFDSRSBMERQOBIV-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.21
Rot. Bonds5

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

2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4968798) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4968798
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H22N4O4S/c26-20(14-24-15-22-19-10-3-2-9-18(19)21(24)27)23-16-7-6-8-17(13-16)30(28,29)25-11-4-1-5-12-25/h2-3,6-10,13,15H,1,4-5,11-12,14H2,(H,23,26)
InChIKeyFDSRSBMERQOBIV-UHFFFAOYSA-N
XLogP2.21
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4968798) is 2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is FDSRSBMERQOBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-20(14-24-15-22-19-10-3-2-9-18(19)21(24)27)23-16-7-6-8-17(13-16)30(28,29)25-11-4-1-5-12-25/h2-3,6-10,13,15H,1,4-5,11-12,14H2,(H,23,26).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 426.50 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4968798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).