(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

C17H16FN3OS2 — CID 8522992

IUPAC(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncnc2sccc12)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H16FN3OS2/c1-11(24-16-14-6-7-23-15(14)19-10-20-16)17(22)21(2)9-12-4-3-5-13(18)8-12/h3-8,10-11H,9H2,1-2H3/t11-/m0/s1
InChIKeyZDYNVIUAEJJMPT-NSHDSACASA-N
MW361.47 g/mol
LogP3.97
Rot. Bonds5

About (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide (PubChem CID 8522992) has the molecular formula C17H16FN3OS2 and a molecular weight of 361.47 g/mol. Its IUPAC name is (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
PubChem CID8522992
Molecular FormulaC17H16FN3OS2
Molecular Weight361.47 g/mol
Exact Mass361.07
IUPAC Name(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncnc2sccc12)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H16FN3OS2/c1-11(24-16-14-6-7-23-15(14)19-10-20-16)17(22)21(2)9-12-4-3-5-13(18)8-12/h3-8,10-11H,9H2,1-2H3/t11-/m0/s1
InChIKeyZDYNVIUAEJJMPT-NSHDSACASA-N
XLogP3.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8521930
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8569133
(2R)-1-(3,4-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 7889332
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43028559
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
(2S)-N-[(3-fluorophenyl)methyl]-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide
CID 8522199
(2S)-N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 40764470
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 46814265
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8521331
methyl 2-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]sulfanylpropanoate
CID 78842851
(2S)-N-[(3-fluorophenyl)methyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 8537183

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide (CID 8522992) is (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide is C[C@H](Sc1ncnc2sccc12)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is ZDYNVIUAEJJMPT-NSHDSACASA-N. The full InChI is InChI=1S/C17H16FN3OS2/c1-11(24-16-14-6-7-23-15(14)19-10-20-16)17(22)21(2)9-12-4-3-5-13(18)8-12/h3-8,10-11H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide?
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 361.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 8522992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).