2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide

C31H37N5O3S — CID 11964508

IUPAC2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
SMILESCCN1C(N2CCCCC2)=Nc2ccccc2C1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H37N5O3S/c1-3-36-29(27-9-5-6-10-28(27)33-31(36)35-19-7-4-8-20-35)21-30(37)32-22-24-13-15-25(16-14-24)34-40(38,39)26-17-11-23(2)12-18-26/h5-6,9-18,29,34H,3-4,7-8,19-22H2,1-2H3,(H,32,37)
InChIKeyAAULUGZZFCAQJP-UHFFFAOYSA-N
MW559.74 g/mol
LogP5.35
Rot. Bonds8

About 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide

2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide (PubChem CID 11964508) has the molecular formula C31H37N5O3S and a molecular weight of 559.74 g/mol. Its IUPAC name is 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
PubChem CID11964508
Molecular FormulaC31H37N5O3S
Molecular Weight559.74 g/mol
Exact Mass559.26
IUPAC Name2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
SMILESCCN1C(N2CCCCC2)=Nc2ccccc2C1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H37N5O3S/c1-3-36-29(27-9-5-6-10-28(27)33-31(36)35-19-7-4-8-20-35)21-30(37)32-22-24-13-15-25(16-14-24)34-40(38,39)26-17-11-23(2)12-18-26/h5-6,9-18,29,34H,3-4,7-8,19-22H2,1-2H3,(H,32,37)
InChIKeyAAULUGZZFCAQJP-UHFFFAOYSA-N
XLogP5.35
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.74
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide (CID 11964508) is 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide is CCN1C(N2CCCCC2)=Nc2ccccc2C1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The InChIKey is AAULUGZZFCAQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O3S/c1-3-36-29(27-9-5-6-10-28(27)33-31(36)35-19-7-4-8-20-35)21-30(37)32-22-24-13-15-25(16-14-24)34-40(38,39)26-17-11-23(2)12-18-26/h5-6,9-18,29,34H,3-4,7-8,19-22H2,1-2H3,(H,32,37).
What are the key properties of 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide has a molecular weight of 559.74 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 11964508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).