N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C21H20N4O3S — CID 8980188

IUPACN-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CC2)c1
InChIInChI=1S/C21H20N4O3S/c1-13(26)22-14-5-4-6-15(11-14)23-19(27)12-29-21-24-18-8-3-2-7-17(18)20(28)25(21)16-9-10-16/h2-8,11,16H,9-10,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyPGMHUCFMCKLRCF-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.42
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 8980188) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID8980188
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CC2)c1
InChIInChI=1S/C21H20N4O3S/c1-13(26)22-14-5-4-6-15(11-14)23-19(27)12-29-21-24-18-8-3-2-7-17(18)20(28)25(21)16-9-10-16/h2-8,11,16H,9-10,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyPGMHUCFMCKLRCF-UHFFFAOYSA-N
XLogP3.42
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide 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-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7988583
N-(5-acetamido-2-methoxyphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 55404752
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 8979950
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
CID 46611934
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 8979867
N-(4-chloro-2-methylphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980194
N-(3-chloro-2-methylphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979776
2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 2418977
4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27957508
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 8980245
2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8982041
methyl 4-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155405

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 8980188) is N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is PGMHUCFMCKLRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-13(26)22-14-5-4-6-15(11-14)23-19(27)12-29-21-24-18-8-3-2-7-17(18)20(28)25(21)16-9-10-16/h2-8,11,16H,9-10,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 408.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8980188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).