4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide

C26H24N4O3S — CID 16533660

IUPAC4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide
SMILESCC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C26H24N4O3S/c1-16(2)19-7-4-6-10-22(19)30-25(33)20-8-3-5-9-21(20)29-26(30)34-15-23(31)28-18-13-11-17(12-14-18)24(27)32/h3-14,16H,15H2,1-2H3,(H2,27,32)(H,28,31)
InChIKeyOKGPNLFWXYKBCT-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.34
Rot. Bonds7

About 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide

4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide (PubChem CID 16533660) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide
PubChem CID16533660
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Name4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide
SMILESCC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C26H24N4O3S/c1-16(2)19-7-4-6-10-22(19)30-25(33)20-8-3-5-9-21(20)29-26(30)34-15-23(31)28-18-13-11-17(12-14-18)24(27)32/h3-14,16H,15H2,1-2H3,(H2,27,32)(H,28,31)
InChIKeyOKGPNLFWXYKBCT-UHFFFAOYSA-N
XLogP4.34
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23855223
N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23931253
N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23798479
4-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 2417850
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 2600171
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 23741013
N-(4-chloro-3-nitrophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23798903
2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 23960255
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3908699
N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 7840089
N-[(1R)-1-cyclopropylethyl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 8578255
N-(2-methoxyethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2563558

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide (CID 16533660) is 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide is CC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O.
What is the InChIKey of 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is OKGPNLFWXYKBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-16(2)19-7-4-6-10-22(19)30-25(33)20-8-3-5-9-21(20)29-26(30)34-15-23(31)28-18-13-11-17(12-14-18)24(27)32/h3-14,16H,15H2,1-2H3,(H2,27,32)(H,28,31).
What are the key properties of 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide?
4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide has a molecular weight of 472.57 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 16533660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).