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

C21H19FN4O2S — CID 92750729

IUPAC(2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
SMILESCC[C@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N12)C(=O)Nc1ccccc1F
InChIInChI=1S/C21H19FN4O2S/c1-3-17(19(27)24-16-11-7-5-9-14(16)22)29-21-25-15-10-6-4-8-13(15)18-23-12(2)20(28)26(18)21/h4-12,17H,3H2,1-2H3,(H,24,27)/t12-,17-/m0/s1
InChIKeyCARHMOLGSUPOBN-SJCJKPOMSA-N
MW410.47 g/mol
LogP3.95
Rot. Bonds4

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

(2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (PubChem CID 92750729) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is (2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
PubChem CID92750729
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name(2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
SMILESCC[C@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N12)C(=O)Nc1ccccc1F
InChIInChI=1S/C21H19FN4O2S/c1-3-17(19(27)24-16-11-7-5-9-14(16)22)29-21-25-15-10-6-4-8-13(15)18-23-12(2)20(28)26(18)21/h4-12,17H,3H2,1-2H3,(H,24,27)/t12-,17-/m0/s1
InChIKeyCARHMOLGSUPOBN-SJCJKPOMSA-N
XLogP3.95
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-fluorophenyl)butanamide
CID 20965642
(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750724
(2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751047
N-(2,5-difluorophenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
CID 163335956
(2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750882
(2S)-N-(2,6-dimethylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750884
(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
CID 92751122
(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92712213
N-(2,4-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 50798563
2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 46349502
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide
CID 98331508
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751055

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The IUPAC name of (2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide (CID 92750729) is (2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide.
What is the SMILES notation for (2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The canonical SMILES for (2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](C)C(=O)N12)C(=O)Nc1ccccc1F.
What is the InChIKey of (2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
The InChIKey is CARHMOLGSUPOBN-SJCJKPOMSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-3-17(19(27)24-16-11-7-5-9-14(16)22)29-21-25-15-10-6-4-8-13(15)18-23-12(2)20(28)26(18)21/h4-12,17H,3H2,1-2H3,(H,24,27)/t12-,17-/m0/s1.
What are the key properties of (2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide?
(2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide has a molecular weight of 410.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluorophenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide is sourced from PubChem (CID 92750729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).