N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

C21H20N4O2S — CID 18592348

IUPACN-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(C)C(=O)N23)c(C)c1
InChIInChI=1S/C21H20N4O2S/c1-12-8-9-16(13(2)10-12)23-18(26)11-28-21-24-17-7-5-4-6-15(17)19-22-14(3)20(27)25(19)21/h4-10,14H,11H2,1-3H3,(H,23,26)
InChIKeyPDYJKTGGEDRNLT-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.65
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 18592348) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID18592348
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(C)C(=O)N23)c(C)c1
InChIInChI=1S/C21H20N4O2S/c1-12-8-9-16(13(2)10-12)23-18(26)11-28-21-24-17-7-5-4-6-15(17)19-22-14(3)20(27)25(19)21/h4-10,14H,11H2,1-3H3,(H,23,26)
InChIKeyPDYJKTGGEDRNLT-UHFFFAOYSA-N
XLogP3.65
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(2-ethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965515
N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92750712
N-(3,5-dimethoxyphenyl)-2-[[(2R)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 41493044
2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-propan-2-ylacetamide
CID 20965527
2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 92725947
2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20852177
N-(5-chloro-2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92725890
N-(5-chloro-2-methylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349450
N-(3,5-dimethylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349451
N-butyl-2-[(2S)-3-oxo-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 92657551
N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965529
N-(2-ethylphenyl)-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965597

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 18592348) is N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(C)C(=O)N23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is PDYJKTGGEDRNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-12-8-9-16(13(2)10-12)23-18(26)11-28-21-24-17-7-5-4-6-15(17)19-22-14(3)20(27)25(19)21/h4-10,14H,11H2,1-3H3,(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?
N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 18592348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).