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

C25H23N3O2S — CID 2118283

IUPACN-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
SMILESC[C@@H](c1ccccc1)n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H23N3O2S/c1-18(20-12-6-3-7-13-20)28-24(30)21-14-8-9-15-22(21)27-25(28)31-17-23(29)26-16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyLGSOCOBJDBOWJA-SFHVURJKSA-N
MW429.55 g/mol
LogP4.41
Rot. Bonds7

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

N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide (PubChem CID 2118283) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
PubChem CID2118283
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
SMILESC[C@@H](c1ccccc1)n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H23N3O2S/c1-18(20-12-6-3-7-13-20)28-24(30)21-14-8-9-15-22(21)27-25(28)31-17-23(29)26-16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyLGSOCOBJDBOWJA-SFHVURJKSA-N
XLogP4.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118284
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 4876651
N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 18076375
2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7500822
2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 7500866
N-benzyl-N-methyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 42001777
N-[(4-fluorophenyl)methyl]-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2087998
N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 24604103
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-(1-phenylethyl)quinazolin-4-one
CID 16543652
N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2608290
(2S)-N-[(4-methoxyphenyl)methyl]-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylpropanamide
CID 2086283
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27971803

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide (CID 2118283) is N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide is C[C@@H](c1ccccc1)n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide?
The InChIKey is LGSOCOBJDBOWJA-SFHVURJKSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-18(20-12-6-3-7-13-20)28-24(30)21-14-8-9-15-22(21)27-25(28)31-17-23(29)26-16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,26,29)/t18-/m0/s1.
What are the key properties of N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide?
N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide has a molecular weight of 429.55 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2118283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).