N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide

C22H25N3O2S — CID 18076375

IUPACN-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCCC(C)NC(=O)CSc1nc2ccccc2c(=O)n1C(C)c1ccccc1
InChIInChI=1S/C22H25N3O2S/c1-4-15(2)23-20(26)14-28-22-24-19-13-9-8-12-18(19)21(27)25(22)16(3)17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H,23,26)
InChIKeyPIESKKBJOZRGFS-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.01
Rot. Bonds7

About N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide

N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 18076375) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID18076375
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
SMILESCCC(C)NC(=O)CSc1nc2ccccc2c(=O)n1C(C)c1ccccc1
InChIInChI=1S/C22H25N3O2S/c1-4-15(2)23-20(26)14-28-22-24-19-13-9-8-12-18(19)21(27)25(22)16(3)17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H,23,26)
InChIKeyPIESKKBJOZRGFS-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7500822
N-butan-2-yl-2-[3-(6-methylheptan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112783702
N-[(2S)-butan-2-yl]-2-[3-[2-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 98274736
N-benzyl-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118284
N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118283
N-butan-2-yl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4813765
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748
2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 7500866
N-[(2S)-butan-2-yl]-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696305
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 55365769
N-[(2R)-butan-2-yl]-2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40575405

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide (CID 18076375) is N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide is CCC(C)NC(=O)CSc1nc2ccccc2c(=O)n1C(C)c1ccccc1.
What is the InChIKey of N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is PIESKKBJOZRGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-4-15(2)23-20(26)14-28-22-24-19-13-9-8-12-18(19)21(27)25(22)16(3)17-10-6-5-7-11-17/h5-13,15-16H,4,14H2,1-3H3,(H,23,26).
What are the key properties of N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide?
N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 395.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18076375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).