(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide

C23H18ClN3OS — CID 2411275

IUPAC(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)[C@H](Sc2ncnc3ccccc23)c2ccccc2)cc1Cl
InChIInChI=1S/C23H18ClN3OS/c1-15-11-12-17(13-19(15)24)27-22(28)21(16-7-3-2-4-8-16)29-23-18-9-5-6-10-20(18)25-14-26-23/h2-14,21H,1H3,(H,27,28)/t21-/m1/s1
InChIKeyXXVVSZUSSLXHFW-OAQYLSRUSA-N
MW419.94 g/mol
LogP6.06
Rot. Bonds5

About (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide

(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2411275) has the molecular formula C23H18ClN3OS and a molecular weight of 419.94 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2411275
Molecular FormulaC23H18ClN3OS
Molecular Weight419.94 g/mol
Exact Mass419.09
IUPAC Name(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)[C@H](Sc2ncnc3ccccc23)c2ccccc2)cc1Cl
InChIInChI=1S/C23H18ClN3OS/c1-15-11-12-17(13-19(15)24)27-22(28)21(16-7-3-2-4-8-16)29-23-18-9-5-6-10-20(18)25-14-26-23/h2-14,21H,1H3,(H,27,28)/t21-/m1/s1
InChIKeyXXVVSZUSSLXHFW-OAQYLSRUSA-N
XLogP6.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.94
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)-2-phenylacetamide
CID 7977499
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)-2-phenylacetamide
CID 23967805
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)-2-phenylacetamide
CID 2427044
(E)-4-[4-[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786182
N-[3-[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906629
2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-chloro-3-nitrophenyl)-2-phenylacetamide
CID 23996065
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437356
N-[4-[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 23100543
N-(4-methylphenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-2-phenylacetamide
CID 51319733
N-(3-chloro-4-methylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21168789
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686097
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 42968880

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide (CID 2411275) is (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide is Cc1ccc(NC(=O)[C@H](Sc2ncnc3ccccc23)c2ccccc2)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is XXVVSZUSSLXHFW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H18ClN3OS/c1-15-11-12-17(13-19(15)24)27-22(28)21(16-7-3-2-4-8-16)29-23-18-9-5-6-10-20(18)25-14-26-23/h2-14,21H,1H3,(H,27,28)/t21-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide?
(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 419.94 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2411275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).