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

C20H20FN3OS — CID 7145085

IUPAC(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCc1nc(S[C@H](C)C(=O)NCCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C20H20FN3OS/c1-13(19(25)22-12-11-15-7-9-16(21)10-8-15)26-20-17-5-3-4-6-18(17)23-14(2)24-20/h3-10,13H,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyAYUNFEDYZSKKGU-CYBMUJFWSA-N
MW369.47 g/mol
LogP3.92
Rot. Bonds6

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

(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (PubChem CID 7145085) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
PubChem CID7145085
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCc1nc(S[C@H](C)C(=O)NCCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C20H20FN3OS/c1-13(19(25)22-12-11-15-7-9-16(21)10-8-15)26-20-17-5-3-4-6-18(17)23-14(2)24-20/h3-10,13H,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyAYUNFEDYZSKKGU-CYBMUJFWSA-N
XLogP3.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667491
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145349
(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7283972
N-[(2-methoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667490
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7680548
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7144873
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133858
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 46687739

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (CID 7145085) is (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is Cc1nc(S[C@H](C)C(=O)NCCc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The InChIKey is AYUNFEDYZSKKGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13(19(25)22-12-11-15-7-9-16(21)10-8-15)26-20-17-5-3-4-6-18(17)23-14(2)24-20/h3-10,13H,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide has a molecular weight of 369.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 7145085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).