N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide

C27H27N3O2S — CID 23798479

IUPACN-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESCCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C(C)C)c1
InChIInChI=1S/C27H27N3O2S/c1-4-19-10-9-11-20(16-19)28-25(31)17-33-27-29-23-14-7-5-13-22(23)26(32)30(27)24-15-8-6-12-21(24)18(2)3/h5-16,18H,4,17H2,1-3H3,(H,28,31)
InChIKeyFIKWQIWFSCSCFD-UHFFFAOYSA-N
MW457.60 g/mol
LogP5.80
Rot. Bonds7

About N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide

N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 23798479) has the molecular formula C27H27N3O2S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
PubChem CID23798479
Molecular FormulaC27H27N3O2S
Molecular Weight457.60 g/mol
Exact Mass457.18
IUPAC NameN-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
SMILESCCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C(C)C)c1
InChIInChI=1S/C27H27N3O2S/c1-4-19-10-9-11-20(16-19)28-25(31)17-33-27-29-23-14-7-5-13-22(23)26(32)30(27)24-15-8-6-12-21(24)18(2)3/h5-16,18H,4,17H2,1-3H3,(H,28,31)
InChIKeyFIKWQIWFSCSCFD-UHFFFAOYSA-N
XLogP5.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.60
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23931253
N-(3,4-dichlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23855223
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide
CID 16532628
4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 16533660
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 23741013
N-(4-chloro-3-nitrophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23798903
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 2600171
2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 2486709
N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 7840089
N-(2-methoxyethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2563558
N-[(1R)-1-cyclopropylethyl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 8578255
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 4268068

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide (CID 23798479) is N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide is CCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C(C)C)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is FIKWQIWFSCSCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2S/c1-4-19-10-9-11-20(16-19)28-25(31)17-33-27-29-23-14-7-5-13-22(23)26(32)30(27)24-15-8-6-12-21(24)18(2)3/h5-16,18H,4,17H2,1-3H3,(H,28,31).
What are the key properties of N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?
N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 457.60 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 23798479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).