4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide

C23H24N4O3S — CID 27957508

IUPAC4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-24-21(29)15-10-12-16(13-11-15)25-20(28)14-31-23-26-19-9-5-4-8-18(19)22(30)27(23)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3,(H,24,29)(H,25,28)
InChIKeyFUQLHUQUMCMDDG-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.60
Rot. Bonds6

About 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide

4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide (PubChem CID 27957508) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
PubChem CID27957508
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C23H24N4O3S/c1-24-21(29)15-10-12-16(13-11-15)25-20(28)14-31-23-26-19-9-5-4-8-18(19)22(30)27(23)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3,(H,24,29)(H,25,28)
InChIKeyFUQLHUQUMCMDDG-UHFFFAOYSA-N
XLogP3.60
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide with MolForge

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Related Compounds

methyl 4-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155405
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CID 27328561
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
CID 46611934
N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7988583
4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 25410473
N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980188
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 7988602
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 17430885
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7988471
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 8979950
2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8982041
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16542611

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide (CID 27957508) is 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1.
What is the InChIKey of 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
The InChIKey is FUQLHUQUMCMDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-24-21(29)15-10-12-16(13-11-15)25-20(28)14-31-23-26-19-9-5-4-8-18(19)22(30)27(23)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide has a molecular weight of 436.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 27957508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).