(2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide

C18H22FN3OS — CID 41095797

IUPAC(2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)NCc2ccc(F)cc2)nc(C(C)C)n1
InChIInChI=1S/C18H22FN3OS/c1-11(2)17-21-12(3)9-16(22-17)24-13(4)18(23)20-10-14-5-7-15(19)8-6-14/h5-9,11,13H,10H2,1-4H3,(H,20,23)/t13-/m1/s1
InChIKeySKSRCSARCJVIMX-CYBMUJFWSA-N
MW347.46 g/mol
LogP3.84
Rot. Bonds6

About (2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide

(2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 41095797) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID41095797
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name(2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)NCc2ccc(F)cc2)nc(C(C)C)n1
InChIInChI=1S/C18H22FN3OS/c1-11(2)17-21-12(3)9-16(22-17)24-13(4)18(23)20-10-14-5-7-15(19)8-6-14/h5-9,11,13H,10H2,1-4H3,(H,20,23)/t13-/m1/s1
InChIKeySKSRCSARCJVIMX-CYBMUJFWSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.84
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
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 132903387
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 8949359
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 46402563
methyl 2-[2-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135689709
(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 8959736
(2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 92736148
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46646744
(2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8934985
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide (CID 41095797) is (2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide is Cc1cc(S[C@H](C)C(=O)NCc2ccc(F)cc2)nc(C(C)C)n1.
What is the InChIKey of (2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is SKSRCSARCJVIMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-11(2)17-21-12(3)9-16(22-17)24-13(4)18(23)20-10-14-5-7-15(19)8-6-14/h5-9,11,13H,10H2,1-4H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
(2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 41095797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).