(2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide

C28H26N4O2S — CID 92726048

IUPAC(2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide
SMILESCC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N12)C(=O)NCCc1ccccc1
InChIInChI=1S/C28H26N4O2S/c1-2-23(26(33)29-18-17-19-11-5-3-6-12-19)35-28-30-22-16-10-9-15-21(22)25-31-24(27(34)32(25)28)20-13-7-4-8-14-20/h3-16,23-24H,2,17-18H2,1H3,(H,29,33)/t23-,24+/m1/s1
InChIKeyTZFXHZAVQMWSNV-RPWUZVMVSA-N
MW482.61 g/mol
LogP4.89
Rot. Bonds7

About (2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide

(2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide (PubChem CID 92726048) has the molecular formula C28H26N4O2S and a molecular weight of 482.61 g/mol. Its IUPAC name is (2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide
PubChem CID92726048
Molecular FormulaC28H26N4O2S
Molecular Weight482.61 g/mol
Exact Mass482.18
IUPAC Name(2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide
SMILESCC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N12)C(=O)NCCc1ccccc1
InChIInChI=1S/C28H26N4O2S/c1-2-23(26(33)29-18-17-19-11-5-3-6-12-19)35-28-30-22-16-10-9-15-21(22)25-31-24(27(34)32(25)28)20-13-7-4-8-14-20/h3-16,23-24H,2,17-18H2,1H3,(H,29,33)/t23-,24+/m1/s1
InChIKeyTZFXHZAVQMWSNV-RPWUZVMVSA-N
XLogP4.89
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-ethylphenyl)-2-[[(2R)-3-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98359220
(2R)-N-(furan-2-ylmethyl)-2-[[(2S)-3-oxo-2-[3-oxo-3-(2-phenylethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98354861
(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92712213
(2S)-N-(3-methoxypropyl)-2-[[(2R)-3-oxo-2-[3-oxo-3-(2-phenylethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98354901
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
CID 3441649
N-(4-ethylphenyl)-2-[[3-oxo-2-[3-oxo-3-(2-phenylethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 46506349
(2S)-N-(4-ethylphenyl)-2-[[(2R)-3-oxo-2-[3-oxo-3-(2-phenylethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98186772
(2R)-N-cyclohexyl-2-[[(2S)-3-oxo-2-[3-oxo-3-(2-phenylethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98354927
(2R)-2-[[(2S)-2-[3-(benzylamino)-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide
CID 98354409
N-(1,3-benzodioxol-5-yl)-2-[[3-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 4068864
N-(2-ethylphenyl)-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965597
(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
CID 92751122

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide?
The IUPAC name of (2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide (CID 92726048) is (2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide.
What is the SMILES notation for (2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide?
The canonical SMILES for (2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide is CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N12)C(=O)NCCc1ccccc1.
What is the InChIKey of (2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide?
The InChIKey is TZFXHZAVQMWSNV-RPWUZVMVSA-N. The full InChI is InChI=1S/C28H26N4O2S/c1-2-23(26(33)29-18-17-19-11-5-3-6-12-19)35-28-30-22-16-10-9-15-21(22)25-31-24(27(34)32(25)28)20-13-7-4-8-14-20/h3-16,23-24H,2,17-18H2,1H3,(H,29,33)/t23-,24+/m1/s1.
What are the key properties of (2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide?
(2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide has a molecular weight of 482.61 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 92726048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).