N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide

C26H24N4O3S — CID 46606044

IUPACN-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C26H24N4O3S/c1-2-18-10-6-8-14-21(18)28-23(31)16-27-24(32)17-34-26-29-22-15-9-7-13-20(22)25(33)30(26)19-11-4-3-5-12-19/h3-15H,2,16-17H2,1H3,(H,27,32)(H,28,31)
InChIKeyMFDCCTFOUICUNQ-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.80
Rot. Bonds8

About N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide

N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide (PubChem CID 46606044) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide
PubChem CID46606044
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C26H24N4O3S/c1-2-18-10-6-8-14-21(18)28-23(31)16-27-24(32)17-34-26-29-22-15-9-7-13-20(22)25(33)30(26)19-11-4-3-5-12-19/h3-15H,2,16-17H2,1H3,(H,27,32)(H,28,31)
InChIKeyMFDCCTFOUICUNQ-UHFFFAOYSA-N
XLogP3.80
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide with MolForge

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Related Compounds

2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779
N-(2,3-dimethylphenyl)-2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 16532276
methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetate
CID 18074079
2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 31673280
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410
N-(2-ethylphenyl)-2-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 4118442
N-(2-ethylphenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 46857409
N-(2,6-diethylphenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16534179
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
N-(2,6-diethylphenyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532862
N-(2-acetylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2094775
N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23913419

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide (CID 46606044) is N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide is CCc1ccccc1NC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide?
The InChIKey is MFDCCTFOUICUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-2-18-10-6-8-14-21(18)28-23(31)16-27-24(32)17-34-26-29-22-15-9-7-13-20(22)25(33)30(26)19-11-4-3-5-12-19/h3-15H,2,16-17H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide?
N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide has a molecular weight of 472.57 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 46606044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).