4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide

C21H21N3O2S — CID 27350175

IUPAC4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C21H21N3O2S/c22-19(25)15-11-9-14(10-12-15)13-27-21-23-18-8-4-3-7-17(18)20(26)24(21)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13H2,(H2,22,25)
InChIKeyLMOCEEKPIFVDPP-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.90
Rot. Bonds5

About 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide

4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide (PubChem CID 27350175) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
PubChem CID27350175
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C21H21N3O2S/c22-19(25)15-11-9-14(10-12-15)13-27-21-23-18-8-4-3-7-17(18)20(26)24(21)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13H2,(H2,22,25)
InChIKeyLMOCEEKPIFVDPP-UHFFFAOYSA-N
XLogP3.90
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 37166055
3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 16578648
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 9381572
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 2561583
4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26970971
2-[4-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]phenyl]benzonitrile
CID 24622900
3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 38921957
3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
3-cyclopentyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 18130615
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-cyclohexylquinazolin-4-one
CID 4596643
4-[[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27592797

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide (CID 27350175) is 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide is NC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1.
What is the InChIKey of 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide?
The InChIKey is LMOCEEKPIFVDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c22-19(25)15-11-9-14(10-12-15)13-27-21-23-18-8-4-3-7-17(18)20(26)24(21)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13H2,(H2,22,25).
What are the key properties of 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide?
4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide has a molecular weight of 379.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 27350175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).