N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide

C18H17N3OS2 — CID 78761224

IUPACN-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESCSc1ccccc1NC(=O)C(C)Sc1ncnc2ccccc12
InChIInChI=1S/C18H17N3OS2/c1-12(17(22)21-15-9-5-6-10-16(15)23-2)24-18-13-7-3-4-8-14(13)19-11-20-18/h3-12H,1-2H3,(H,21,22)
InChIKeyMTLCBGKBFOBPDT-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.47
Rot. Bonds5

About N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide

N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide (PubChem CID 78761224) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
PubChem CID78761224
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC NameN-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESCSc1ccccc1NC(=O)C(C)Sc1ncnc2ccccc12
InChIInChI=1S/C18H17N3OS2/c1-12(17(22)21-15-9-5-6-10-16(15)23-2)24-18-13-7-3-4-8-14(13)19-11-20-18/h3-12H,1-2H3,(H,21,22)
InChIKeyMTLCBGKBFOBPDT-UHFFFAOYSA-N
XLogP4.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2429534
N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 42968881
(2R)-N-[4-(dimethylamino)phenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 2607982
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
(2R)-N-(2-chloro-4-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 7715762
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide
CID 40789859
(2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2370369
(2R)-N-[4-nitro-2-(trifluoromethyl)phenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 41136768
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761229
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 9325215
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 42968880
N-methyl-2-quinazolin-4-ylsulfanylpropan-1-amine
CID 62577206

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide (CID 78761224) is N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide is CSc1ccccc1NC(=O)C(C)Sc1ncnc2ccccc12.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The InChIKey is MTLCBGKBFOBPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-12(17(22)21-15-9-5-6-10-16(15)23-2)24-18-13-7-3-4-8-14(13)19-11-20-18/h3-12H,1-2H3,(H,21,22).
What are the key properties of N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide?
N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide has a molecular weight of 355.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide is sourced from PubChem (CID 78761224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).