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

C19H25N3O2S — CID 3245927

IUPACN-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C19H25N3O2S/c1-2-3-12-20-17(23)13-25-19-21-16-11-7-6-10-15(16)18(24)22(19)14-8-4-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,23)
InChIKeyAUFNRYVLYBJQKM-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.52
Rot. Bonds7

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

N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 3245927) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID3245927
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C19H25N3O2S/c1-2-3-12-20-17(23)13-25-19-21-16-11-7-6-10-15(16)18(24)22(19)14-8-4-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,23)
InChIKeyAUFNRYVLYBJQKM-UHFFFAOYSA-N
XLogP3.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide
CID 17454712
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7988471
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-[(4-fluorophenyl)methyl]acetamide
CID 2561583
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7628384
N-butan-2-yl-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51141133
2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8982041
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7989252
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7989255
2-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 11911147
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 3245927) is N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide is CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1.
What is the InChIKey of N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is AUFNRYVLYBJQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-3-12-20-17(23)13-25-19-21-16-11-7-6-10-15(16)18(24)22(19)14-8-4-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,23).
What are the key properties of N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 359.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3245927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).