N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C23H23N3O3S — CID 7988583

IUPACN-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c1
InChIInChI=1S/C23H23N3O3S/c1-15(27)16-7-6-8-17(13-16)24-21(28)14-30-23-25-20-12-5-4-11-19(20)22(29)26(23)18-9-2-3-10-18/h4-8,11-13,18H,2-3,9-10,14H2,1H3,(H,24,28)
InChIKeyWHWFYXDCBYYINH-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.45
Rot. Bonds6

About N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 7988583) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID7988583
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c1
InChIInChI=1S/C23H23N3O3S/c1-15(27)16-7-6-8-17(13-16)24-21(28)14-30-23-25-20-12-5-4-11-19(20)22(29)26(23)18-9-2-3-10-18/h4-8,11-13,18H,2-3,9-10,14H2,1H3,(H,24,28)
InChIKeyWHWFYXDCBYYINH-UHFFFAOYSA-N
XLogP4.45
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-acetylphenyl)-2-(3-cyclopentyl-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-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980188
4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27957508
methyl 4-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155405
2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 2418977
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 7988602
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 27328561
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-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 126479001
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 112785733
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16542611
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 17430885

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 7988583) is N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is WHWFYXDCBYYINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-15(27)16-7-6-8-17(13-16)24-21(28)14-30-23-25-20-12-5-4-11-19(20)22(29)26(23)18-9-2-3-10-18/h4-8,11-13,18H,2-3,9-10,14H2,1H3,(H,24,28).
What are the key properties of N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 421.52 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7988583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).