2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide

C23H27N3O2S — CID 55365769

IUPAC2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CSc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1
InChIInChI=1S/C23H27N3O2S/c1-4-10-19(17-11-6-5-7-12-17)24-21(27)15-29-23-25-20-14-9-8-13-18(20)22(28)26(23)16(2)3/h5-9,11-14,16,19H,4,10,15H2,1-3H3,(H,24,27)
InChIKeyBZFPCJMSVHNWEE-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.73
Rot. Bonds8

About 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide

2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide (PubChem CID 55365769) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide
PubChem CID55365769
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CSc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1
InChIInChI=1S/C23H27N3O2S/c1-4-10-19(17-11-6-5-7-12-17)24-21(27)15-29-23-25-20-14-9-8-13-18(20)22(28)26(23)16(2)3/h5-9,11-14,16,19H,4,10,15H2,1-3H3,(H,24,27)
InChIKeyBZFPCJMSVHNWEE-UHFFFAOYSA-N
XLogP4.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.73
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
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-phenylbutyl)acetamide
CID 55366134
N-(dicyclopropylmethyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 31191233
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 8807414
N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 18076375
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3376172
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8807428
N-(4-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624618
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 2608241
N-butan-2-yl-2-[3-(6-methylheptan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112783702
N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118283

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide (CID 55365769) is 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)CSc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1.
What is the InChIKey of 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide?
The InChIKey is BZFPCJMSVHNWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-4-10-19(17-11-6-5-7-12-17)24-21(27)15-29-23-25-20-14-9-8-13-18(20)22(28)26(23)16(2)3/h5-9,11-14,16,19H,4,10,15H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide?
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide has a molecular weight of 409.56 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-phenylbutyl)acetamide is sourced from PubChem (CID 55365769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).