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

C26H22N4O2S — CID 92751211

IUPAC(2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCc1cccc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N23)c1
InChIInChI=1S/C26H22N4O2S/c1-16-9-8-12-19(15-16)27-24(31)17(2)33-26-28-21-14-7-6-13-20(21)23-29-22(25(32)30(23)26)18-10-4-3-5-11-18/h3-15,17,22H,1-2H3,(H,27,31)/t17-,22-/m0/s1
InChIKeyDGUZGNMLWMZNFH-JTSKRJEESA-N
MW454.56 g/mol
LogP5.09
Rot. Bonds4

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

(2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (PubChem CID 92751211) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is (2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
PubChem CID92751211
Molecular FormulaC26H22N4O2S
Molecular Weight454.56 g/mol
Exact Mass454.15
IUPAC Name(2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCc1cccc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N23)c1
InChIInChI=1S/C26H22N4O2S/c1-16-9-8-12-19(15-16)27-24(31)17(2)33-26-28-21-14-7-6-13-20(21)23-29-22(25(32)30(23)26)18-10-4-3-5-11-18/h3-15,17,22H,1-2H3,(H,27,31)/t17-,22-/m0/s1
InChIKeyDGUZGNMLWMZNFH-JTSKRJEESA-N
XLogP5.09
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750847
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751231
(2R)-N-(4-chlorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751222
(2R)-N-(3,5-dimethoxyphenyl)-2-[[(2R)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751204
(2S)-N-(4-methoxyphenyl)-2-[[(2R)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751201
(2R)-N-(2-chlorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751218
(2R)-N-(3-methoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750776
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956
(2R)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 98749404
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750864
2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20852177
(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751116

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (CID 92751211) is (2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is Cc1cccc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N23)c1.
What is the InChIKey of (2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The InChIKey is DGUZGNMLWMZNFH-JTSKRJEESA-N. The full InChI is InChI=1S/C26H22N4O2S/c1-16-9-8-12-19(15-16)27-24(31)17(2)33-26-28-21-14-7-6-13-20(21)23-29-22(25(32)30(23)26)18-10-4-3-5-11-18/h3-15,17,22H,1-2H3,(H,27,31)/t17-,22-/m0/s1.
What are the key properties of (2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
(2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide has a molecular weight of 454.56 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is sourced from PubChem (CID 92751211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).