N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

C19H18FN3OS — CID 78667491

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)NCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C19H18FN3OS/c1-12(18(24)21-11-14-7-9-15(20)10-8-14)25-19-16-5-3-4-6-17(16)22-13(2)23-19/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyIIRULXCLQXNAFI-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.87
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (PubChem CID 78667491) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
PubChem CID78667491
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)NCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C19H18FN3OS/c1-12(18(24)21-11-14-7-9-15(20)10-8-14)25-19-16-5-3-4-6-17(16)22-13(2)23-19/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyIIRULXCLQXNAFI-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145085
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
N-[(2-methoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667490
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145349
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7144873
N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 46687739
(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7283972
(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133858
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 46618238
(2R)-N-[(4-fluorophenyl)methyl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8577379
(2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 41095797
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 78452622

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (CID 78667491) is N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is Cc1nc(SC(C)C(=O)NCc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The InChIKey is IIRULXCLQXNAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-12(18(24)21-11-14-7-9-15(20)10-8-14)25-19-16-5-3-4-6-17(16)22-13(2)23-19/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 78667491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).