N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

C22H18FN3OS2 — CID 18283834

IUPACN-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)Nc2ccc(F)cc2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C22H18FN3OS2/c1-13(20(27)26-17-10-8-16(23)9-11-17)28-21-18-12-19(15-6-4-3-5-7-15)29-22(18)25-14(2)24-21/h3-13H,1-2H3,(H,26,27)
InChIKeyGNKFFPHKVFIUPG-UHFFFAOYSA-N
MW423.54 g/mol
LogP5.93
Rot. Bonds5

About N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide (PubChem CID 18283834) has the molecular formula C22H18FN3OS2 and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
PubChem CID18283834
Molecular FormulaC22H18FN3OS2
Molecular Weight423.54 g/mol
Exact Mass423.09
IUPAC NameN-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCc1nc(SC(C)C(=O)Nc2ccc(F)cc2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C22H18FN3OS2/c1-13(20(27)26-17-10-8-16(23)9-11-17)28-21-18-12-19(15-6-4-3-5-7-15)29-22(18)25-14(2)24-21/h3-13H,1-2H3,(H,26,27)
InChIKeyGNKFFPHKVFIUPG-UHFFFAOYSA-N
XLogP5.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 4675025
(2S)-N-(4-acetamidophenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 27400494
N-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 16876874
(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7888355
(2R)-N-(9,10-dioxoanthracen-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 98407624
(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133858
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 3650708
(2R)-N-(4-fluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7556545
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 78452622
N-(2,5-dimethylphenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 3497069
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145349
N-(2-chlorophenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 4207303

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide (CID 18283834) is N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide is Cc1nc(SC(C)C(=O)Nc2ccc(F)cc2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is GNKFFPHKVFIUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS2/c1-13(20(27)26-17-10-8-16(23)9-11-17)28-21-18-12-19(15-6-4-3-5-7-15)29-22(18)25-14(2)24-21/h3-13H,1-2H3,(H,26,27).
What are the key properties of N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 423.54 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 18283834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).